Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM198164
Substrate
n/a
Meas. Tech.
In vitro AChE and BChE Assay
pH
8±n/a
IC50
2.721e+4± 2.44e+3 nM
Comments
extracted
Citation
 Ahmad, S; Iftikhar, F; Ullah, F; Sadiq, A; Rashid, U Rational design and synthesis of dihydropyrimidine based dual binding site acetylcholinesterase inhibitors. Bioorg Chem 69:91-101 (2016) [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:
BDBM198164
Synonyms:
2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-ylamino)-N-(4-chlorophenyl)acetamide (5b)
Type:
Small organic molecule
Emp. Form.:
C21H21ClN4O2
Mol. Mass.:
396.87
SMILES:
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
Structure:
Search PDB for entries with ligand similarity: