Detailed information for compound 279822

Basic information

Technical information
  • TDR Targets ID: 279822
  • Name: 3-amino-2-bromo-N-[(2R,3R)-4-[2-(tert-butylca rbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsu lfanylbutan-2-yl]benzamide
  • MW: 620.6 | Formula: C32H34BrN3O3S
  • H donors: 4 H acceptors: 3 LogP: 6.33 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H]([C@@H](NC(=O)c1cccc(c1Br)N)CSc1ccc2c(c1)cccc2)Cc1ccccc1C(=O)NC(C)(C)C
  • InChi: 1S/C32H34BrN3O3S/c1-32(2,3)36-31(39)24-12-7-6-11-22(24)18-28(37)27(35-30(38)25-13-8-14-26(34)29(25)33)19-40-23-16-15-20-9-4-5-10-21(20)17-23/h4-17,27-28,37H,18-19,34H2,1-3H3,(H,35,38)(H,36,39)/t27-,28+/m0/s1
  • InChiKey: VTKNFIAOVVDRFB-WUFINQPMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-2-bromo-N-[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]benzamide
  • 3-amino-2-bromo-N-[(1R,2R)-3-[2-[(tert-butylamino)-oxomethyl]phenyl]-2-hydroxy-1-[(2-naphthalenylthio)methyl]propyl]benzamide
  • 3-azanyl-2-bromo-N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanyl-butan-2-yl]benzamide
  • 3-amino-2-bromo-N-[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]benzamide
  • 3-amino-2-bromo-N-[(1R,2R)-3-[2-[(tert-butylamino)-oxomethyl]phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]benzamide
  • 3-amino-2-bromo-N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanyl-butan-2-yl]benzamide
  • (2-{(2R,3R)-3-[(3-Amino-2-bromophenyl)carbonylamino]-2-hydroxy-4-(2-naphthylthio)butyl}phenyl)-N-(tert-butyl)carboxamide
  • AIDS-070560
  • AIDS070560

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) Get druggable targets OG5_131408 All targets in OG5_131408
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Giardia lamblia DNA-directed RNA polymerase subunit D Human immunodeficiency virus type 1 protease   99 aa 90 aa 27.8 %
Trypanosoma brucei variant surface glycoprotein (VSG), putative Human immunodeficiency virus type 1 protease   99 aa 80 aa 27.5 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Echinococcus multilocularis Chromobox protein 3 Human immunodeficiency virus type 1 protease   99 aa 95 aa 28.4 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Mycobacterium leprae Hypothetical protein Human immunodeficiency virus type 1 protease   99 aa 86 aa 27.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis serotonin receptor 0.0016 0.0017 0.0022
Brugia malayi neuropeptide F receptor 0.0016 0.0017 0.0017
Brugia malayi GnHR receptor homolog 0.0016 0.0017 0.0017
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.0249 0.8837
Plasmodium vivax amine transporter, putative 0.0026 0.0043 0.3528
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus g-protein coupled receptor 0.0016 0.0017 0.0022
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0022
Echinococcus multilocularis g-protein coupled receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0053 0.0069
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0025 0.0206
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Plasmodium falciparum transporter, putative 0.0026 0.0043 0.4455
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Brugia malayi glutathione reductase 0.0048 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0026 0.0252
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0026 0.0026
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0025 0.0018
Echinococcus multilocularis allatostatin A receptor 0.0016 0.0017 0.0022
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0025 0.9377
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.4455
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0025
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Schistosoma mansoni neuropeptide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) glutathione reductase 0.0048 0.0097 0.0097
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0025 0.0018
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0013 0.1389
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0017 0.0022
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0026 0.0026
Brugia malayi G protein-coupled receptor F59B2.13 0.0016 0.0017 0.0017
Loa Loa (eye worm) solute carrier family 6 member 4 0.0155 0.0361 0.0361
Echinococcus granulosus sex peptide receptor 0.0016 0.0017 0.0022
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0025 0.2534
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0026 0.0252
Treponema pallidum sodium- and chloride- dependent transporter 0.0155 0.0361 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Plasmodium vivax glutathione reductase, putative 0.0048 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0017 0.0022
Schistosoma mansoni biogenic amine receptor 0.0016 0.0017 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0017 0.0022
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0026 1
Echinococcus multilocularis geminin 0.0342 0.0824 0.1066
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0019 0.066
Schistosoma mansoni hypothetical protein 0.0342 0.0824 0.1066
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0011 0.0005
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0031 0.0031
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0017 0.0022
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0026 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Schistosoma mansoni adenoreceptor 0.0016 0.0017 0.0022
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0025 0.9531
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0025 0.0032
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0026 0.0345
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) RecQ helicase 0.0021 0.0031 0.0031
Echinococcus granulosus geminin 0.0342 0.0824 0.1066
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0019 0.0229
Schistosoma mansoni neuropeptide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.003 0.0053 0.0053
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0026 0.002
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0022
Onchocerca volvulus 0.0155 0.0361 0.0447
Schistosoma mansoni sodium-dependent amino acid transporter 0.0026 0.0043 0.0056
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0532 0.1294 0.1675
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0017 0.0022
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.0564 0.073
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0025 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0016 0.0017 0.0022
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0026 0.0043 0.0056
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0016 0.0017 0.0022
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0098 0.0098
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0017 0.0022
Echinococcus granulosus neuropeptide receptor A26 0.0016 0.0017 0.0022
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0017 0.0022
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0026 0.0345
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0016 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.0017 0.0017
Echinococcus multilocularis vesicular acetylcholine transporter 0.313 0.7724 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.0564 0.0564
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus dna polymerase kappa 0.0019 0.0026 0.0034
Schistosoma mansoni amine GPCR 0.0016 0.0017 0.0022
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0016 0.0017 0.0022
Plasmodium falciparum amino acid transporter, putative 0.0026 0.0043 0.4455
Echinococcus granulosus hypothetical protein 0.0016 0.0017 0.0022
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0016 0.0017 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0155 0.0361 0.0361
Trypanosoma brucei trypanothione reductase 0.0048 0.0097 0.0091
Echinococcus multilocularis serotonin transporter 0.0155 0.0361 0.0468
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.0017 0.0022
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Schistosoma mansoni opsin-like receptor 0.0016 0.0017 0.0022
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.002 0.0026
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.0249 0.8837
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.0043
Schistosoma mansoni ap endonuclease 0.0019 0.0025 0.0032
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Echinococcus granulosus tachykinin peptides receptor 99D 0.0016 0.0017 0.0022
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0048 0.0098 0.0126
Brugia malayi Pre-SET motif family protein 0.0211 0.0502 0.0502
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.0017 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus multilocularis G-protein coupled receptor, putative 0.0016 0.0017 0.0022
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.028 1
Brugia malayi hypothetical protein 0.0026 0.0043 0.0043
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0026 0.0034
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Plasmodium falciparum thioredoxin reductase 0.0048 0.0097 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.4455
Echinococcus multilocularis neuropeptide receptor A26 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni alpha-1 adrenergic receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0053 0.0069
Trypanosoma brucei unspecified product 0.0019 0.0026 0.002
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Echinococcus granulosus peptide allatostatin:somatostatin 0.0016 0.0017 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Brugia malayi Pre-SET motif family protein 0.003 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0019 0.0013
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Plasmodium falciparum glutathione reductase 0.0048 0.0097 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0278 0.0666 0.0862
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0097 0.2985
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0025 0.0323
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0025
Echinococcus granulosus somatostatin receptor 0.0016 0.0017 0.0022
Brugia malayi G-protein coupled receptor 0.0016 0.0017 0.0017
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0031 0.0434
Echinococcus multilocularis sodium and chloride dependent glycine 0.0026 0.0043 0.0056
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0025 0.8146
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.0249 0.8837
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0097 0.0126
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Brugia malayi Serotonin receptor 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0019 0.1998
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Toxoplasma gondii exonuclease III APE 0.0019 0.0025 0.2549
Echinococcus granulosus g protein coupled receptor 0.0016 0.0017 0.0022
Schistosoma mansoni survival motor neuron protein 0.0048 0.0098 0.0126
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Leishmania major C-8 sterol isomerase-like protein 0.4049 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus dna polymerase eta 0.0019 0.0026 0.0034
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0019 0.1998
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.0249 0.8837
Echinococcus multilocularis neuropeptide FF receptor 2 0.0016 0.0017 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus multilocularis G protein coupled receptor 139 0.0016 0.0017 0.0022
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0155 0.0361 0.0361
Trichomonas vaginalis set domain proteins, putative 0.0241 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0026 0.0043 1
Schistosoma mansoni amine GPCR 0.0016 0.0017 0.0022
Schistosoma mansoni amine GPCR 0.0016 0.0017 0.0022
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.0564 0.073
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0026 1
Brugia malayi Dopamine receptor 0.0016 0.0017 0.0017
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.0017 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0019 0.1998
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0026 0.0043 0.0056
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Echinococcus multilocularis neuropeptide s receptor 0.0016 0.0017 0.0022
Plasmodium vivax SET domain protein, putative 0.003 0.0053 0.473
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Brugia malayi ORL1-like opioid receptor 0.0016 0.0017 0.0017
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.0017 0.0022
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0026 0.002
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.0017 0.0022
Trypanosoma brucei C-8 sterol isomerase, putative 0.4049 1 1
Trypanosoma brucei unspecified product 0.0013 0.0011 0.0005
Echinococcus granulosus 7tm_1 domain containing protein 0.0016 0.0017 0.0022
Schistosoma mansoni biogenic amine receptor 0.0016 0.0017 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0017 0.0022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0026 0.0043 0.0043
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0016 0.0017 0.0022
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0017 0.0022
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0053 0.0069
Schistosoma mansoni opsin-like receptor 0.0016 0.0017 0.0022
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0019 0.0013
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0026 0.0043 0.0056
Echinococcus multilocularis dro:myosuppressin receptor 0.0016 0.0017 0.0022
Echinococcus granulosus orexin receptor type 2 0.0016 0.0017 0.0022
Echinococcus granulosus neuropeptide s receptor 0.0016 0.0017 0.0022
Echinococcus granulosus neuropeptide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.0017 0.0017
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0019 0.1998
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.0017 0.0022
Schistosoma mansoni DNA polymerase eta 0.0019 0.0026 0.0034
Brugia malayi vesicular acetylcholine transporter unc-17 0.313 0.7724 0.7724
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0025 0.0323
Echinococcus granulosus vesicular acetylcholine transporter 0.313 0.7724 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0016 0.0017 0.0022
Echinococcus granulosus g protein coupled receptor 0.0016 0.0017 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0155 0.0361 0.0361
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.0017 0.0022
Brugia malayi G-protein coupled receptor 0.0016 0.0017 0.0017
Schistosoma mansoni amine GPCR 0.0016 0.0017 0.0022
Echinococcus granulosus fmrfamide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0017 0.0022
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0025 0.2549
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0097 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0016 0.0017 0.0017
Brugia malayi AKH receptor 0.0016 0.0017 0.0017
Brugia malayi putative neuropeptide receptor 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.207 0.51 0.51
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0097 0.0097
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0019 0.0013
Brugia malayi Dopamine receptor protein 2 0.0016 0.0017 0.0017
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0155 0.0361 0.0361
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.0249 0.8837
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Echinococcus multilocularis sex peptide receptor 0.0016 0.0017 0.0022
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.0017 0.0022
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0026 0.0043 0.0056
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Schistosoma mansoni vesicular acetylcholine transporter 0.313 0.7724 1
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0017 0.0022
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.028 1
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.0017 0.0022
Echinococcus multilocularis serotonin receptor 0.0016 0.0017 0.0022
Echinococcus granulosus neuropeptide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0019 0.0013
Echinococcus granulosus g protein coupled receptor 0.0016 0.0017 0.0022
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0008 0.0008
Loa Loa (eye worm) serotonin transporter b 0.0155 0.0361 0.0361
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 0.0587 0.0587
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0016 0.0017 0.0022
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0013
Onchocerca volvulus 0.0241 0.0574 0.0722
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0016 0.0017 0.0022
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0016 0.0017 0.0022
Leishmania major DNA polymerase kappa, putative 0.0019 0.0026 0.002
Brugia malayi hypothetical protein 0.0236 0.0564 0.0564
Leishmania major trypanothione reductase 0.0048 0.0097 0.0091
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0019 0.0019
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0016 0.0017 0.0022
Echinococcus granulosus serotonin receptor 0.0016 0.0017 0.0022
Schistosoma mansoni biogenic amine receptor 0.0016 0.0017 0.0022
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0016 0.0017 0.0022
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0019 0.0013
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0026 0.0034
Echinococcus granulosus serotonin transporter 0.0155 0.0361 0.0468
Echinococcus multilocularis fmrfamide receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0342 0.0824 0.1066
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0031 0.0434
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus multilocularis dna polymerase eta 0.0019 0.0026 0.0034
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus dro:myosuppressin receptor 0.0016 0.0017 0.0022
Echinococcus multilocularis sodium and chloride dependent glycine 0.0026 0.0043 0.0056
Onchocerca volvulus 0.003 0.0053 0.0047
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0026
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0016 0.0017 0.0017
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0019 0.7471
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis somatostatin receptor 0.0016 0.0017 0.0022
Schistosoma mansoni myosin xvIII 0.0016 0.0017 0.0022
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.0017 0.0022
Echinococcus multilocularis neuropeptide receptor 0.0016 0.0017 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Onchocerca volvulus 0.0026 0.0043 0.0034
Trypanosoma cruzi C-8 sterol isomerase, putative 0.4049 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0019 0.0229
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0053 0.0069
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Brugia malayi RE15519p 0.0016 0.0017 0.0017
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0016 0.0017 0.0017
Schistosoma mansoni sodium/chloride dependent transporter 0.0026 0.0043 0.0056
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0026 0.002
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0019 0.0013
Brugia malayi sulfakinin receptor protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0025
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0026 1
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni neuropeptide receptor 0.0016 0.0017 0.0022
Echinococcus granulosus G protein coupled receptor 139 0.0016 0.0017 0.0022
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0016 0.0017 0.0017
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0019 0.066
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.0043
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Mycobacterium tuberculosis Probable reductase 0.011 0.0249 0.8837
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0026 0.002
Loa Loa (eye worm) hypothetical protein 0.0017 0.002 0.002
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0016 0.0017 0.0017
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.0017 0.0022
Echinococcus multilocularis g protein coupled receptor 0.0016 0.0017 0.0022
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0016 0.0017 0.0022
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0025 0.0018
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.0502 0.0502
Toxoplasma gondii thioredoxin reductase 0.0048 0.0097 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0016 0.0017 0.0022
Onchocerca volvulus 0.0026 0.0043 0.0034
Plasmodium falciparum glutathione reductase 0.0017 0.0019 0.1998
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0016 0.0017 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0016 0.0017 0.0022
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0016 0.0017 0.0022
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.313 0.7724 0.7724
Echinococcus granulosus 7TM GPCR rhodopsin 0.0016 0.0017 0.0022
Loa Loa (eye worm) melatonin receptor type 1A 0.0016 0.0017 0.0017
Schistosoma mansoni amine GPCR 0.0016 0.0017 0.0022
Echinococcus multilocularis orexin receptor type 2 0.0016 0.0017 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0011 0.0005
Loa Loa (eye worm) norepinephrine transporter 0.0155 0.0361 0.0361
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.0017 0.0022
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0017 0.0022
Schistosoma mansoni histamine h1 receptor 0.0016 0.0017 0.0022
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0025 0.1303
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.005 0.0065
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0053 0.5485
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus granulosus alpha 1A adrenergic receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0016 0.0017 0.0017
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.0017 0.0022
Echinococcus granulosus bloom syndrome protein 0.0021 0.0031 0.004
Brugia malayi larval opioid receptor 0.0016 0.0017 0.0017
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.4455
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0026 0.002
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0026 0.0043 0.0056
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0026 0.0043 0.0056
Schistosoma mansoni opsin-like receptor 0.0016 0.0017 0.0022
Trypanosoma brucei unspecified product 0.0013 0.0011 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0011 0.0005
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.0017 0.0022
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0016 0.0017 0.0022
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.0043
Brugia malayi G protein-coupled receptor 0.0016 0.0017 0.0017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Toxoplasma gondii hypothetical protein 0.0026 0.0043 0.4455
Schistosoma mansoni ap endonuclease 0.0019 0.0025 0.0032
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0016 0.0017 0.0022
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0026 0.0034
Leishmania major DNA polymerase eta, putative 0.0019 0.0026 0.002
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0016 0.0017 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.0017 0.0022
Brugia malayi Serotonin receptor 0.0016 0.0017 0.0017
Toxoplasma gondii hypothetical protein 0.0026 0.0043 0.4455
Echinococcus granulosus neuropeptide FF receptor 2 0.0016 0.0017 0.0022
Onchocerca volvulus 0.0026 0.0043 0.0034
Schistosoma mansoni neuropeptide receptor 0.0016 0.0017 0.0022
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Echinococcus granulosus sodium and chloride dependent glycine 0.0026 0.0043 0.0056
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0016 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.4049 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1528 0.376 0.4867
Plasmodium falciparum thioredoxin reductase 0.0017 0.0019 0.1998
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Schistosoma mansoni neuropeptide f receptor 76f 0.0016 0.0017 0.0022
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0026 0.0043 0.0056
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.028 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0026 0.0043 0.0043
Brugia malayi Melatonin receptor type 1A 0.0016 0.0017 0.0017
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0013
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.028 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0031 0.004
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0026 0.002
Brugia malayi neuropeptide F receptor 0.0016 0.0017 0.0017
Brugia malayi Thioredoxin reductase 0.0048 0.0097 0.0097
Schistosoma mansoni sodium/chloride dependent transporter 0.0155 0.0361 0.0468
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.0017 0.0022
Onchocerca volvulus 0.0048 0.0098 0.0104
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.0017 0.0022
Brugia malayi putative neuropeptide receptor NPR1 0.0016 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0025 0.0156
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0026 0.0043 0.0056
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0155 0.0361 0.0468
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Brugia malayi hypothetical protein 0.0016 0.0017 0.0017
Plasmodium vivax hypothetical protein, conserved 0.0026 0.0043 0.3528
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) TYRA-2 protein 0.0016 0.0017 0.0017
Echinococcus granulosus allatostatin A receptor 0.0016 0.0017 0.0022
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0016 0.0017 0.0017
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.0017 0.0022
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.0017 0.0022
Schistosoma mansoni sodium/chloride dependent transporter 0.0026 0.0043 0.0056
Brugia malayi follicle stimulating hormone receptor 0.0246 0.0587 0.0587
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0053 0.0069
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0025 0.0032
Echinococcus granulosus sodium and chloride dependent glycine 0.0026 0.0043 0.0056
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0026 0.0034
Giardia lamblia DINP protein human, muc B family 0.0019 0.0026 1
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0097 0.0091
Brugia malayi Dopamine receptor protein 1 0.0016 0.0017 0.0017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.002
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0097 0.0126
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0019 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.002
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0025 0.0018
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.313 0.7724 1
Echinococcus granulosus tm gpcr rhodopsin 0.0532 0.1294 0.1675
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0019 0.0013

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.6 ug ml-1 Inhibitory activity against CEM cells ChEMBL. No reference
IC50 (functional) = 1.6 ug ml-1 Inhibitory activity against CEM cells ChEMBL. No reference
Ki (binding) = 33 nM Inhibitory activity HIV-1 protease enzyme ChEMBL. No reference
Ki (binding) = 33 nM Inhibitory activity HIV-1 protease enzyme ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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