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TargetCholinesterase
LigandBDBM50592623
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2204621 (CHEMBL5117329)
IC50 6660±n/a nM
Citation Han, CWei, BBShang, PPGuo, XYBai, LGMa, ZY Design, synthesis and evaluation of 2-(2-oxoethyl)pyrimidine-5-carboxamide derivatives as acetylcholinesterase inhibitors. Bioorg Med Chem Lett72:0 (2022) [PubMed]  Article
More Info.:Get all data from this article,  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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50592623
n/a
NameBDBM50592623
Synonyms:CHEMBL5171010
TypeSmall organic molecule
Emp. Form.C25H26N4O6
Mol. Mass.478.4971
SMILESCCOc1ccc(cc1)C(=O)Cc1ncc(cn1)C(=O)N(C)CCCOc1ccc(cc1)[N+]([O-])=O
Structure
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