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TargetCholinesterase
LigandBDBM10629
Substrate/CompetitorBDBM8978
Meas. Tech.Cholinesterase Inhibition Assay
IC50 23±n/a nM
Citation Luo, WYu, QSKulkarni, SSParrish, DAHolloway, HWTweedie, DShafferman, ALahiri, DKBrossi, AGreig, NH Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem49:2174-85 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cholinesterase
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:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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  Blast E-value cutoff:
BDBM10629
BDBM8978
NameBDBM10629
Synonyms:(+)-(3aR)-3a,8-Dimethyl-2,3,3a,8a-tetrahydrofuro[2,3-b]indol-5-yl N-(4-Isopropylphenyl)carbamate | (3aR)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]indol-5-yl N-[4-(propan-2-yl)phenyl]carbamate | Physovenine Carbamate 23b
TypeSmall organic molecule
Emp. Form.C22H26N2O3
Mol. Mass.366.4534
SMILESCC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@]4(C)c3c2)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: