Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50450709
Substrate
n/a
Meas. Tech.
ChEMBL_41403 (CHEMBL653523)
KON
1800.000000 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:
BDBM50450709
Synonyms:
CHEMBL3084810
Type:
Small organic molecule
Emp. Form.:
C15H25NO2
Mol. Mass.:
251.3645
SMILES:
CCCCNC(=O)OC1C2CC3CC(C2)CC1C3 |TLB:17:16:14:11.10.12,THB:7:8:11.10.17:13.14.15,7:8:14:11.10.12,17:11:14:8.16.15,12:11:8:13.14.15,12:13:8:11.10.17,(17.66,-10.86,;16.38,-11.71,;14.99,-11.05,;13.7,-11.91,;12.31,-11.24,;11.02,-12.1,;11.12,-13.65,;9.64,-11.42,;8.15,-11.83,;6.74,-11.24,;5.68,-12.48,;5.71,-14.08,;4.2,-14.49,;5.4,-13.21,;5.39,-11.73,;6.72,-13.7,;8.15,-13.37,;7.11,-14.64,)|
Structure:
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