Reaction Details Report a problem with these data
Target
Acetyl-CoA carboxylase
Ligand
BDBM429352
Substrate
n/a
Meas. Tech.
ACCase Enzymatic Assay
IC50
10240±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
More Info.:
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:
BDBM429352
Synonyms:
2-((4-cyano-1-ethyl-5,6,7,8- tetrahydroisoquinolin-3- yl)thio)-2-phenylacetic acid | US10548313, Formula Ia-xv | US11375716, Formula Ia-xv
Type:
Small organic molecule
Emp. Form.:
C20H20N2O2S
Mol. Mass.:
352.45
SMILES:
CCc1nc(SC(C(O)=O)c2ccccc2)c(C#N)c2CCCCc12