Detailed information for compound 267191

Basic information

Technical information
  • TDR Targets ID: 267191
  • Name: 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[(2-sulfa moyl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethyl]a mino]ethyl]amino]acetic acid
  • MW: 905.949 | Formula: C32H39N7O16S4
  • H donors: 5 H acceptors: 14 LogP: -5.83 Rotable bonds: 28
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC(=O)CN(CCN(CC(=O)OCCOc1ccc2c(c1)sc(n2)S(=O)(=O)N)CC(=O)O)CCN(CC(=O)OCCOc1ccc2c(c1)sc(n2)S(=O)(=O)N)CC(=O)O
  • InChi: 1S/C32H39N7O16S4/c33-58(48,49)31-35-22-3-1-20(13-24(22)56-31)52-9-11-54-29(46)18-38(16-27(42)43)7-5-37(15-26(40)41)6-8-39(17-28(44)45)19-30(47)55-12-10-53-21-2-4-23-25(14-21)57-32(36-23)59(34,50)51/h1-4,13-14H,5-12,15-19H2,(H,40,41)(H,42,43)(H,44,45)(H2,33,48,49)(H2,34,50,51)
  • InChiKey: ZZLLLCNRSQXFHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[bis[2-[carboxymethyl-[2-oxo-2-[2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethyl]amino]ethyl]amino]ethanoic acid
  • 2-[bis[2-[carboxymethyl-[2-keto-2-[2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethyl]amino]ethyl]amino]acetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens carbonic anhydrase IV Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase IV 312 aa 270 aa 26.7 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0073 0.0228 0.0277
Loa Loa (eye worm) hypothetical protein 0.0038 0.0049 0.0049
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0053 0.0126 0.0152
Loa Loa (eye worm) ACC-1 protein 0.0053 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0174 0.0513
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0094 0.0286
Schistosoma mansoni hypothetical protein 0.0038 0.0049 0.0143
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0053 0.0126 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0069 0.0199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0053 0.0126 0.0152
Trypanosoma brucei protein arginine n-methyltransferase 7 0.0094 0.0336 0.0268
Onchocerca volvulus 0.0053 0.0126 0.043
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.1211 0.3561
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0174 0.0212
Echinococcus granulosus chromobox protein 1 0.0078 0.0253 0.0743
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0053 0.0126 0.0126
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0053 0.0126 0.0369
Echinococcus granulosus glycine receptor subunit beta 0.0053 0.0126 0.0369
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0545 0.0661
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0125 0.0495 0.1713
Schistosoma mansoni hypothetical protein 0.0354 0.1676 0.4927
Brugia malayi Pre-SET motif family protein 0.0435 0.2092 0.2092
Loa Loa (eye worm) hypothetical protein 0.0043 0.0077 0.0077
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0198 0.0198
Onchocerca volvulus Alhambra homolog 0.0032 0.002 0.007
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0053 0.0126 0.0126
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0094 0.0336 0.0268
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.002 0.006
Loa Loa (eye worm) hypothetical protein 0.0167 0.0711 0.0711
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0077 0.0227
Loa Loa (eye worm) hypothetical protein 0.0134 0.0545 0.0545
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0288 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0248 0.113 0.3322
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0094 0.0336 0.0407
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0253 0.0837
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0125 0.0495 0.0429
Onchocerca volvulus 0.0595 0.2919 1
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0013 0.0037
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0013 0.0003
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0253 0.0253
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.0401 0.1178
Plasmodium falciparum phosphoethanolamine N-methyltransferase 0.0042 0.0069 0.0928
Brugia malayi Bromodomain containing protein 0.0032 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Schistosoma mansoni protein arginine n-methyltransferase 0.0689 0.3402 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0056 0.0056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0545 0.1601
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Echinococcus granulosus geminin 0.0354 0.1676 0.4927
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0053 0.0126 0.0152
Loa Loa (eye worm) regulatory protein 0.0042 0.0069 0.0069
Brugia malayi PHD-finger family protein 0.0032 0.002 0.002
Entamoeba histolytica hypothetical protein 0.0125 0.0495 0.1713
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0053 0.0126 0.0152
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0069 0.0199
Loa Loa (eye worm) carbonic anhydrase 3 0.0248 0.113 0.113
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Echinococcus multilocularis peregrin 0.0032 0.002 0.0025
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0545 0.0545
Echinococcus multilocularis chromobox protein 1 0.0078 0.0253 0.0307
Schistosoma mansoni hypothetical protein 0.0032 0.002 0.006
Trypanosoma brucei carbonic anhydrase-like protein 0.0248 0.113 0.1068
Schistosoma mansoni protein arginine n-methyltransferase 0.0042 0.0069 0.0203
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0134 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0125 0.0495 0.0495
Entamoeba histolytica arginine N-methyltransferase 1, putative 0.0094 0.0336 0.1162
Onchocerca volvulus 0.0053 0.0126 0.043
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0075 0.024 0.0705
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0689 0.3402 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0053 0.0126 0.0126
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0073 0.0228 0.0672
Leishmania major arginine N-methyltransferase, type I 0.0094 0.0336 0.0323
Schistosoma mansoni hypothetical protein 0.0134 0.0545 0.1601
Brugia malayi Abnormal catecholamine distribution protein 1 0.0183 0.0795 0.0795
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0689 0.3402 1
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0094 0.0336 0.1125
Echinococcus multilocularis muscleblind protein 0.0167 0.0711 0.0863
Brugia malayi Cation transporter family protein 0.0053 0.0126 0.0126
Onchocerca volvulus 0.0053 0.0126 0.043
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0689 0.3402 0.4128
Echinococcus multilocularis chromobox protein 1 0.0078 0.0253 0.0307
Schistosoma mansoni hypothetical protein 0.0054 0.013 0.0383
Echinococcus granulosus protein arginine N methyltransferase 7 0.0094 0.0336 0.0987
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0053 0.0126 0.0369
Echinococcus granulosus protein arginine methyltransferase 0.0073 0.0228 0.0672
Brugia malayi Pre-SET motif family protein 0.0062 0.0174 0.0174
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0053 0.0126 0.0369
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0053 0.0126 0.0126
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.002 0.006
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.002 0.0025
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0053 0.0126 0.0126
Treponema pallidum fructose-bisphosphate aldolase 0.059 0.289 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0545 0.0545
Brugia malayi jmjC domain containing protein 0.0039 0.0056 0.0056
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0125 0.0495 0.0429
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Onchocerca volvulus 0.0495 0.2401 0.8226
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0056 0.0163
Echinococcus granulosus methyltransferase protein 5 0.0094 0.0336 0.0987
Loa Loa (eye worm) hypothetical protein 0.0134 0.0545 0.0545
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0248 0.113 0.3322
Loa Loa (eye worm) ACC-1 protein 0.0053 0.0126 0.0126
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0174 0.0513
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.059 0.289 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0053 0.0126 0.0369
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0053 0.0126 0.0369
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0077 0.0264
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Trypanosoma cruzi arginine N-methyltransferase, type I 0.0094 0.0336 0.0268
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0545 0.0545
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0056 0.0163
Loa Loa (eye worm) hypothetical protein 0.1007 0.5039 0.5039
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0253 0.0837
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0053 0.0126 0.0126
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0053 0.0126 0.0126
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0073 0.0228 0.0753
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Toxoplasma gondii bicoid-interacting protein BIN3 0.0094 0.0336 0.0932
Echinococcus multilocularis muscleblind protein 1 0.0167 0.0711 0.0863
Schistosoma mansoni chromobox protein 0.0078 0.0253 0.0743
Loa Loa (eye worm) hypothetical protein 0.0056 0.014 0.014
Onchocerca volvulus 0.0075 0.024 0.0821
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0545 0.0661
Toxoplasma gondii hypothetical protein 0.0134 0.0545 0.1551
Plasmodium falciparum carbonic anhydrase 0.0134 0.0545 1
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0545 0.0661
Loa Loa (eye worm) hypothetical protein 0.0167 0.0711 0.0711
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Trichomonas vaginalis set domain proteins, putative 0.0495 0.2401 0.8301
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0163 0.0478
Echinococcus granulosus glycine receptor subunit alpha 1 0.0053 0.0126 0.0369
Schistosoma mansoni hypothetical protein 0.0354 0.1676 0.4927
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0053 0.0126 0.0126
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0174 0.0513
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0248 0.113 0.1068
Onchocerca volvulus 0.0053 0.0126 0.043
Trypanosoma brucei C-8 sterol isomerase, putative 0.197 1 1
Brugia malayi Carm1-pending protein 0.0689 0.3402 0.3402
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0053 0.0126 0.0126
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0053 0.0126 0.0126
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0248 0.113 0.113
Brugia malayi jmjC domain containing protein 0.0106 0.0401 0.0401
Leishmania major C-8 sterol isomerase-like protein 0.197 1 1
Onchocerca volvulus Putative nachr subunit 0.0053 0.0126 0.043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0174 0.0212
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0288 0.1337 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0069 0.0199
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0073 0.0228 0.3968
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0053 0.0126 0.0369
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0094 0.0286
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0139 0.0139
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.1211 0.147
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0053 0.0126 0.0126
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Brugia malayi Protein arginine N-methyltransferase 0.0094 0.0336 0.0336
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0134 0.0545 0.0545
Loa Loa (eye worm) LGC-31 protein 0.0053 0.0126 0.0126
Brugia malayi chromobox protein homolog 3 0.0043 0.0077 0.0077
Echinococcus granulosus nAChR subunit 0.0053 0.0126 0.0369
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0053 0.0126 0.0126
Echinococcus granulosus muscleblind protein 0.0167 0.0711 0.209
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0053 0.0126 0.0126
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0134 0.0545 0.0545
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0288 0.1337 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0116 0.034
Trypanosoma cruzi arginine N-methyltransferase, type III 0.0094 0.0336 0.0268
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0116 0.014
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0435 0.2092 0.2092
Echinococcus granulosus carbonic anhydrase 0.0134 0.0545 0.1601
Plasmodium vivax phosphoethanolamine N-methyltransferase 0.0042 0.0069 0.2339
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0053 0.0126 0.0126
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0174 0.0455
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0053 0.0126 0.0152
Echinococcus multilocularis carbonic anhydrase II 0.0248 0.113 0.1371
Schistosoma mansoni carbonic anhydrase 0.0134 0.0545 0.1601
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0053 0.0126 0.0126
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0053 0.0126 0.0369
Echinococcus granulosus peregrin 0.0032 0.002 0.006
Leishmania major hypothetical protein, conserved 0.0042 0.0069 0.0056
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0053 0.0126 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0077 0.0227
Plasmodium vivax SET domain protein, putative 0.0062 0.0174 0.7401
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1628 0.8241 1
Echinococcus granulosus carbonic anhydrase 0.0134 0.0545 0.1601
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0545 0.1601
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0094 0.0336 0.1125
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0053 0.0126 0.0126
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0073 0.0228 0.0672
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0094 0.0336 0.0336
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Echinococcus granulosus carbonic anhydrase II 0.0248 0.113 0.3322
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0053 0.0126 0.0152
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0053 0.0126 0.0126
Echinococcus multilocularis geminin 0.0354 0.1676 0.2034
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0545 0.1601
Echinococcus multilocularis glycine receptor subunit beta 0.0053 0.0126 0.0152
Echinococcus granulosus glycine receptor subunit beta 0.0053 0.0126 0.0369
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0053 0.0126 0.0152
Schistosoma mansoni hypothetical protein 0.0094 0.0336 0.0987
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0094 0.0323
Loa Loa (eye worm) hypothetical protein 0.0062 0.0174 0.0174
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Echinococcus granulosus glycine receptor subunit alpha 1 0.0053 0.0126 0.0369
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0134 0.0545 0.0545
Brugia malayi Cation transporter family protein 0.0053 0.0126 0.0126
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0053 0.0126 0.0126
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0053 0.0126 0.0152
Giardia lamblia Fructose-bisphosphate aldolase 0.059 0.289 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0049 0.0049
Echinococcus granulosus protein arginine N methyltransferase 8 0.0073 0.0228 0.0672
Loa Loa (eye worm) hypothetical protein 0.0264 0.1211 0.1211
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0053 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Echinococcus multilocularis nAChR subunit 0.0053 0.0126 0.0152
Onchocerca volvulus 0.0053 0.0126 0.043
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0056 0.0067
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0086 0.0253
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0073 0.0228 0.0753
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0094 0.0336 0.0323
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0125 0.0495 0.0429
Onchocerca volvulus 0.0054 0.013 0.0446
Echinococcus granulosus chromobox protein 1 0.0078 0.0253 0.0743
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0053 0.0126 0.0126
Echinococcus granulosus alkylated dna repair protein alkb 8 0.0042 0.0069 0.0203
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0056 0.0163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0116 0.034
Onchocerca volvulus 0.0053 0.0126 0.043
Brugia malayi Cation transporter family protein 0.0053 0.0126 0.0126
Leishmania major carbonic anhydrase-like protein 0.0248 0.113 0.1119
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0029
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0139 0.0139
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0053 0.0126 0.0126
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0053 0.0126 0.0152
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.0401 0.0486
Schistosoma mansoni nAChR subunit 0.0053 0.0126 0.0369
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.059 0.289 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0116 0.0116
Loa Loa (eye worm) Carm1-pending protein 0.0689 0.3402 0.3402
Brugia malayi regulatory protein 0.0042 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Echinococcus granulosus probable protein arginine n-methyltransferase 0.0297 0.1386 0.4074
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0053 0.0126 0.0369
Echinococcus multilocularis glycine receptor subunit beta 0.0053 0.0126 0.0152
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0183 0.0795 0.0795
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0053 0.0126 0.0369
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0094 0.0336 0.1125
Echinococcus granulosus synaptic vesicular amine transporter 0.0183 0.0795 0.2337
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0053 0.0126 0.0369
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0073 0.0228 1
Schistosoma mansoni chromobox protein 0.0078 0.0253 0.0743
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0116 0.034
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0053 0.0126 0.0152
Brugia malayi hypothetical protein 0.0264 0.1211 0.1211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0116 0.034
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Echinococcus multilocularis synaptic vesicular amine transporter 0.0183 0.0795 0.0965
Echinococcus granulosus glycine receptor subunit alpha 1 0.0053 0.0126 0.0369
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0053 0.0126 0.0369
Toxoplasma gondii histone arginine methyltransferase PRMT3 0.0094 0.0336 0.0932
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0248 0.113 0.113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0116 0.014
Echinococcus granulosus carbonic anhydrase 0.0134 0.0545 0.1601
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0053 0.0126 0.0369
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0053 0.0126 0.0369
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0086 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0174 0.0513
Toxoplasma gondii hypothetical protein 0.0042 0.0069 0.0144
Schistosoma mansoni vesicular amine transporter 0.0183 0.0795 0.2337
Trypanosoma cruzi C-8 sterol isomerase, putative 0.197 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.059 0.289 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.013 0.013
Brugia malayi hypothetical protein 0.0125 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.002 0.002
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0248 0.113 0.1068
Loa Loa (eye worm) hypothetical protein 0.0053 0.0126 0.0126
Trypanosoma cruzi protein arginine n-methyltransferase 7 0.0094 0.0336 0.0268
Loa Loa (eye worm) hypothetical protein 0.197 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0248 0.113 0.113
Loa Loa (eye worm) hypothetical protein 0.0055 0.0139 0.0139
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0053 0.0126 0.0369
Brugia malayi Heterochromatin protein 1 0.0078 0.0253 0.0253
Onchocerca volvulus 0.0034 0.0029 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0116 0.034
Brugia malayi Muscleblind-like protein 0.0167 0.0711 0.0711
Echinococcus multilocularis protein arginine methyltransferase 0.0073 0.0228 0.0277
Schistosoma mansoni survival motor neuron protein 0.0054 0.013 0.0383
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0073 0.0228 0.0615
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0288 0.0847
Loa Loa (eye worm) hypothetical protein 0.0032 0.002 0.002

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.5 nM Inhibition of cloned isozyme, human carbonic anhydrase II ChEMBL. 11229775
Ki (binding) = 0.5 nM Inhibition of cloned isozyme, human carbonic anhydrase II ChEMBL. 11229775
Ki (binding) = 4 nM Inhibition of cloned isozyme, human carbonic anhydrase IV ChEMBL. 11229775
Ki (binding) = 4 nM Inhibition of cloned isozyme, human carbonic anhydrase IV ChEMBL. 11229775
Ki (binding) = 16 nM Inhibition of cloned isozyme, human carbonic anhydrase I ChEMBL. 11229775
Ki (binding) = 16 nM Inhibition of cloned isozyme, human carbonic anhydrase I ChEMBL. 11229775

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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