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Target
Carboxylic ester hydrolase
Ligand
BDBM50135653
Substrate
n/a
Meas. Tech.
ChEBML_41398
Ki
10±n/a nM
Citation
 Lin, G; Tsai, HJ; Tsai, YH Cage amines as the stopper inhibitors of cholinesterases. Bioorg Med Chem Lett 13:2887-90 (2003) [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:
BDBM50135653
Synonyms:
2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,9.03,11]dodecane | CHEMBL319086
Type:
Small organic molecule
Emp. Form.:
C49H44Cl6N6
Mol. Mass.:
929.632
SMILES:
Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10|
Structure:
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