Reaction Details Report a problem with these data
Target
Acetyl-CoA carboxylase
Ligand
BDBM429264
Substrate
n/a
Meas. Tech.
ACCase Enzymatic Assay
IC50
1718±n/a nM
Citation
 Slomczynska, U; Dimmic, MW; Haakenson, Jr., WP; Bennett, JL; Shortt, BJ; Taylor, CM; Williams, DJ; Slater, M Acetyl-CoA carboxylase modulators US Patent  US10548313 Publication Date 2/4/2020 
Target
Name:
Acetyl-CoA carboxylase
Synonyms:
6.4.1.2 | ACCase | Acetyl-CoA carboxylase
Type:
PROTEIN
Mol. Mass.:
12114.64
Organism:
Zea mays
Description:
ChEMBL_106638
Residue:
109
Sequence:
DSATKTAQALLDFNREGLPLFILANWRGFSGGQRDLFEGILQAGSTIVENLRTYNQPAFVYIPMAGELRGGAWVVVDSKINPDRIECYAERTAKGNVLEPQGLIEIKFR
  
Inhibitor
Name:
BDBM429264
Synonyms:
2-((3-cyano-6-(2,4- dimethoxyphenyl)-4- (trifluoromethyl)pyridin-2- yl)thio)-2-phenylacetic acid | US10548313, Formula Ia-viii | US11375716, Formula Ia-viii
Type:
Small organic molecule
Emp. Form.:
C23H17F3N2O4S
Mol. Mass.:
474.452
SMILES:
COc1ccc(c(OC)c1)-c1cc(c(C#N)c(SC(C(O)=O)c2ccccc2)n1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: