Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50072039
Substrate
n/a
Meas. Tech.
ChEMBL_41403 (CHEMBL653523)
KON
1900.000000 M-1s-1
Citation
 Lin, G; Chen, GH; Ho, HC Conformationally restricted carbamate inhibitors of horse serum butyrylcholinesterase. Bioorg Med Chem Lett 8:2747-50 (1999) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:
Protein
Mol. Mass.:
68842.83
Organism:
Equus caballus (Horse)
Description:
Q9N1N9
Residue:
602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50072039
Synonyms:
Butyl-carbamic acid adamantan-1-yl ester | CHEMBL92657
Type:
Small organic molecule
Emp. Form.:
C15H25NO2
Mol. Mass.:
251.3645
SMILES:
CCCCNC(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:17:8:15:12.11.13,THB:7:8:15:12.11.13,16:8:11:14.15.13,16:14:8.9.17:11,17:12:8.9.16:15|
Structure:
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