Detailed information for compound 49548

Basic information

Technical information
  • TDR Targets ID: 49548
  • Name: (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbon ylamino)propanoyl]amino]propanoic acid
  • MW: 370.399 | Formula: C20H22N2O5
  • H donors: 3 H acceptors: 4 LogP: 2.77 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1)OCc1ccccc1
  • InChi: 1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1
  • InChiKey: LEJTXQOVOPDGHS-YOEHRIQHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoic acid
  • (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-1-oxo-3-phenylpropyl]amino]propanoic acid
  • (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propionic acid
  • N-benzyloxycarbonylphenylalanylalanine
  • (2S)-2-[[(2S)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]-3-phenylpropyl]amino]propanoic acid
  • 16088-00-9
  • L-Alanine, N-(N-((phenylmethoxy)carbonyl)-D-phenylalanyl)-
  • N(alpha)-Benzyloxycarbonyl-D-phenylalanyl-L-alanine
  • Z-Phe-ala
  • AIDS-208845
  • AIDS208845
  • L-Alanine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0028 0.0274 0.0182
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Toxoplasma gondii cathepsin B 0.0055 0.0766 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Onchocerca volvulus 0.0028 0.0274 0.3082
Loa Loa (eye worm) ACC-1 protein 0.0061 0.0888 0.1279
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.0888 0.2078
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0061 0.0888 0.0802
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.0888 0.0802
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0061 0.0888 0.1279
Brugia malayi cathepsin B-like cysteine proteinase 0.0166 0.2833 0.408
Onchocerca volvulus Putative nachr subunit 0.0061 0.0888 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0061 0.0888 0.0802
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0061 0.0888 0.1279
Schistosoma mansoni neurotransmitter gated ion channel 0.0028 0.0274 0.0471
Schistosoma mansoni neurotransmitter gated ion channel 0.0028 0.0274 0.0471
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Schistosoma mansoni nAChR subunit 0.0028 0.0274 0.0471
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Trypanosoma brucei cysteine peptidase C (CPC) 0.0055 0.0766 0.0981
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Echinococcus multilocularis cathepsin b 0.0166 0.2833 0.2765
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Brugia malayi Protein kinase domain containing protein 0.0019 0.0094 0.0135
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Brugia malayi Cation transporter family protein 0.0061 0.0888 0.1279
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.0888 0.2078
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Schistosoma mansoni acetylcholine receptor subunit beta 0.0028 0.0274 0.0471
Onchocerca volvulus 0.0061 0.0888 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.0888 0.0802
Onchocerca volvulus 0.0061 0.0888 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Brugia malayi Protein kinase domain containing protein 0.0019 0.0094 0.0135
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Loa Loa (eye worm) cathepsin B 0.0055 0.0766 0.1103
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.0766 0.1758
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0061 0.0888 0.0802
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.0888 0.0802
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0061 0.0888 0.1279
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0055 0.0766 1
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Brugia malayi hypothetical protein 0.0028 0.0274 0.0394
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0061 0.0888 0.0802
Loa Loa (eye worm) AGC/AKT protein kinase 0.0019 0.0094 0.0135
Brugia malayi Hr1 repeat family protein 0.0019 0.0094 0.0135
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0061 0.0888 0.0802
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0028 0.0274 0.0182
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.0888 0.0802
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0032 0.0338 0.0487
Onchocerca volvulus 0.0028 0.0274 0.3082
Onchocerca volvulus 0.0061 0.0888 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0019 0.0094 0.0135
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0061 0.0888 0.1279
Brugia malayi excitatory GABA receptor EXP-1A 0.0061 0.0888 0.1279
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0061 0.0888 0.1279
Echinococcus multilocularis cathepsin b 0.0166 0.2833 0.2765
Giardia lamblia Cathepsin B precursor 0.0055 0.0766 0.5
Onchocerca volvulus 0.0033 0.0362 0.4077
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0061 0.0888 0.1279
Echinococcus granulosus Protein kinase C brain isozyme 0.0032 0.0338 0.0247
Loa Loa (eye worm) acetylcholine receptor protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0061 0.0888 0.0802
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0061 0.0888 0.1279
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0061 0.0888 0.0802
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.0888 0.0802
Echinococcus granulosus cathepsin b 0.0166 0.2833 0.2765
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0028 0.0274 0.0182
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0033 0.0362 0.0522
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0061 0.0888 0.0802
Onchocerca volvulus 0.0033 0.0362 0.4077
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0061 0.0888 0.1279
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0033 0.0362 0.0522
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0387 0.6943 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0387 0.6943 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0362 0.0522
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0019 0.0094 0.0135
Loa Loa (eye worm) hypothetical protein 0.0387 0.6943 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0019 0.0094 0.0135
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0551 1 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0028 0.0274 0.0394
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0888 0.1279
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0061 0.0888 0.1279
Onchocerca volvulus 0.0028 0.0274 0.3082
Giardia lamblia Cathepsin B precursor 0.0055 0.0766 0.5
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Brugia malayi hypothetical protein 0.0028 0.0274 0.0394
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 0.2833 0.7162
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0019 0.0094 0.0135
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0061 0.0888 0.0802
Onchocerca volvulus 0.0061 0.0888 1
Brugia malayi Cation transporter family protein 0.0061 0.0888 0.1279
Brugia malayi hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) LGC-31 protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Entamoeba histolytica hypothetical protein 0.0033 0.0362 1
Echinococcus granulosus protein kinase c iota type 0.0211 0.3673 0.3613
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0338 0.0639
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0061 0.0888 0.0802
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0032 0.0338 0.0247
Loa Loa (eye worm) AGC/NDR protein kinase 0.0019 0.0094 0.0135
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.2833 0.7162
Echinococcus granulosus protein kinase c epsilon type 0.0032 0.0338 0.0247
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.2833 0.3346
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0033 0.0362 0.0702
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0061 0.0888 0.0802
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0338 0.0639
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0061 0.0888 0.1279
Loa Loa (eye worm) hypothetical protein 0.0198 0.3425 0.4933
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0061 0.0888 0.0802
Echinococcus granulosus glycine receptor subunit beta 0.0061 0.0888 0.0802
Giardia lamblia Cathepsin B precursor 0.0055 0.0766 0.5
Echinococcus multilocularis nAChR subunit 0.0061 0.0888 0.0802
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.0888 0.1279
Echinococcus multilocularis glycine receptor subunit beta 0.0061 0.0888 0.0802
Brugia malayi p70 ribosomal S6 kinase beta 0.0019 0.0094 0.0135
Loa Loa (eye worm) GABA receptor subunit 0.0033 0.0362 0.0522
Onchocerca volvulus 0.0061 0.0888 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0362 0.0522
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.2833 0.7162
Echinococcus multilocularis nAChR subunit 0.0033 0.0362 0.0271
Brugia malayi hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Brugia malayi hypothetical protein 0.0028 0.0274 0.0394
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0061 0.0888 0.2078
Echinococcus granulosus cathepsin b 0.0166 0.2833 0.2765
Echinococcus multilocularis glycine receptor subunit beta 0.0061 0.0888 0.0802
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0094 0.011
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0888 0.1279
Brugia malayi protein kinase C3,putative 0.0193 0.3335 0.4803
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0028 0.0274 0.0394
Schistosoma mansoni acetylcholine receptor-related 0.0028 0.0274 0.0471
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0888 0.1279
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0028 0.0274 0.0394
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0028 0.0274 0.0182
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0338 0.0639
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0387 0.6943 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0888 0.1279
Onchocerca volvulus 0.0061 0.0888 1
Loa Loa (eye worm) ACC-1 protein 0.0061 0.0888 0.1279
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0019 0.0094 0.0135
Loa Loa (eye worm) AGC/PKN protein kinase 0.0019 0.0094 0.0135
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0888 0.1279
Schistosoma mansoni neurotransmitter gated ion channel 0.0033 0.0362 0.0702
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0061 0.0888 0.0802
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0028 0.0274 0.0182
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.0888 0.1279
Echinococcus granulosus glycine receptor subunit beta 0.0061 0.0888 0.0802
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0061 0.0888 0.0802
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.2833 0.7162
Brugia malayi Protein kinase domain containing protein 0.0019 0.0094 0.0135
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0061 0.0888 0.0802
Echinococcus granulosus nAChR subunit 0.0033 0.0362 0.0271
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.0888 0.2078
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0061 0.0888 0.2078
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0028 0.0274 0.0394
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0061 0.0888 0.1279
Schistosoma mansoni nAChR subunit 0.0061 0.0888 0.2078
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0206 0.3579 0.5156
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0028 0.0274 0.0394
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0061 0.0888 0.2078
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0274 0.0394
Brugia malayi protein kinase C II. 0.0032 0.0338 0.0487
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0061 0.0888 0.1279
Schistosoma mansoni nAChR subunit 0.0028 0.0274 0.0471
Leishmania major C-8 sterol isomerase-like protein 0.0387 0.6943 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Echinococcus multilocularis protein kinase c iota type 0.0211 0.3673 0.3613
Echinococcus granulosus nAChR subunit 0.0061 0.0888 0.0802
Schistosoma mansoni atypical protein kinase C 0.0224 0.3918 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0028 0.0274 0.0394
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0033 0.0362 0.0702
Echinococcus multilocularis protein kinase c epsilon type 0.0032 0.0338 0.0247
Loa Loa (eye worm) hypothetical protein 0.0033 0.0362 0.0522
Loa Loa (eye worm) hypothetical protein 0.0061 0.0888 0.1279
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.0888 0.0802
Loa Loa (eye worm) hypothetical protein 0.0166 0.2833 0.408
Brugia malayi Cation transporter family protein 0.0061 0.0888 0.1279

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15.5 nM Compound was tested for its inhibitory activity against cathepsin L ChEMBL. No reference
IC50 (binding) = 45.1 nM Compound was tested for its inhibitory activity against cathepsin B ChEMBL. No reference
IC50 (binding) = 45.1 nM Compound was tested for its inhibitory activity against cathepsin B ChEMBL. No reference
Inhibition (binding) % Compound was tested for its inhibitory activity against alpha-chymotrypsin at concentration less than 1000 ng/ml; no inhibition ChEMBL. No reference
Inhibition (binding) 0 % Compound was tested for its inhibitory activity against alpha-chymotrypsin at concentration less than 1000 ng/ml; no inhibition ChEMBL. No reference
Ratio (binding) = 2.91 Ratio of Inhibitory activity against cathepsin B/cathepsin L ChEMBL. No reference
Ratio (binding) = 2.91 Ratio of Inhibitory activity against cathepsin B/cathepsin L ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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