| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50138759 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1510773 (CHEMBL3606468) |
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| IC50 | 200000±n/a nM |
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| Citation |  McConville, M; Fernández, J; Angulo-Barturen, Í; Bahamontes-Rosa, N; Ballell-Pages, L; Castañeda, P; de Cózar, C; Crespo, B; Guijarro, L; Jiménez-Díaz, MB; Martínez-Martínez, MS; de Mercado, J; Santos-Villarejo, Á; Sanz, LM; Frigerio, M; Washbourn, G; Ward, SA; Nixon, GL; Biagini, GA; Berry, NG; Blackman, MJ; Calderón, F; O'Neill, PM Carbamoyl Triazoles, Known Serine Protease Inhibitors, Are a Potent New Class of Antimalarials. J Med Chem58:6448-55 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 67792.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22303 |
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| Residue: | 614 |
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| Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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| BDBM50138759 |
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| n/a |
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| Name | BDBM50138759 |
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| Synonyms: | 5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,2,4]triazole-1-carboxylic acid dimethylamide | CHEMBL130478 | N,N-dimethyl-5-(methylthio)-3-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole-1-carboxamide |
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| Type | Small organic molecule |
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| Emp. Form. | C13H13F3N4O2S |
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| Mol. Mass. | 346.328 |
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| SMILES | CSc1nc(nn1C(=O)N(C)C)-c1ccc(OC(F)(F)F)cc1 |
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| Structure | 
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