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Target
Cholinesterase
Ligand
BDBM50161785
Substrate
n/a
Meas. Tech.
ChEMBL_305654 (CHEMBL829512)
IC50
27±n/a nM
Citation
 Luo, W; Yu, QS; Zhan, M; Parrish, D; Deschamps, JR; Kulkarni, SS; Holloway, HW; Alley, GM; Lahiri, DK; Brossi, A; Greig, NH Novel anticholinesterases based on the molecular skeletons of furobenzofuran and methanobenzodioxepine. J Med Chem 48:986-94 (2005) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Homo sapiens (Human)
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50161785
Synonyms:
(4-Isopropyl-phenyl)-carbamic acid 3a-methyl-2,3,3a,8a-tetrahydro-benzo[b]furo[3,2-d]furan-5-yl ester | CHEMBL179320
Type:
Small organic molecule
Emp. Form.:
C21H23NO4
Mol. Mass.:
353.4116
SMILES:
CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCCC4(C)c3c2)cc1
Structure:
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