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Target
Acetyl-CoA carboxylase
Ligand
BDBM96465
Substrate
n/a
Meas. Tech.
ACCase Enzymatic Assay
IC50
274±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:
BDBM96465
Synonyms:
(3-Cyano-4-thiophen-2-yl-5,6,7,8-tetrahydro-quinolin-2-ylsulfanyl)-phenyl-acetic acid | 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoic acid;ethanol | 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetic acid;ethanol | 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid;ethanol | 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-2-phenyl-acetic acid;ethanol | MLS000777323 | SMR000413768 | US10548313, Formula Ia-xiii | US11375716, Formula Ia-xiii | cid_16682212
Type:
Small organic molecule
Emp. Form.:
C22H18N2O2S2
Mol. Mass.:
406.521
SMILES:
OC(=O)C(Sc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1
Structure:
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