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Target
Acetylcholinesterase
Ligand
BDBM10404
Substrate
n/a
Meas. Tech.
ChEMBL_1677343 (CHEMBL4027486)
IC50
355±n/a nM
Citation
Ko?ak, U; Brus, B; Knez, D; ?akelj, S; Trontelj, J; Pi?lar, A; ?ink, R; Juki?, M; ?ivin, M; Podkowa, A; Nachon, F; Brazzolotto, X; Stojan, J; Kos, J; Coquelle, N; Sa?at, K; Colletier, JP; Gobec, S The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity. J Med Chem 61:119-139 (2018) [PubMed] Article
More Info.:
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
Inhibitor
Name:
BDBM10404
Synonyms:
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6,8,10(17),15-tetraen-14-ol | CHEMBL659 | GALANTAMINE HYDROBROMIDE | Galantamin | Galanthamine | Galanthamine, 12 | Lycoremine | Nivalin | Nivaline | Razadyne | Reminyl | US11643395, Compound 10 | US9586925, Galantamine | galantamine
Type:
Small organic molecule
Emp. Form.:
C17H21NO3
Mol. Mass.:
287.3535
SMILES:
COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|