Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A synthetase, cytoplasmic
Ligand
BDBM615952
Substrate
n/a
Meas. Tech.
Biochemical Activity ACSS2 Assay
IC50
<1.0±n/a nM
Citation
 Koetzner, L; Fuchss, T; Schindler, C; Kuhn, D AMIDE DERIVATIVES US Patent  US20230271956 Publication Date 8/31/2023 
Target
Name:
Acetyl-coenzyme A synthetase, cytoplasmic
Synonyms:
6.2.1.1 | 6.2.1.17 | ACAS2 | ACS | ACSA_HUMAN | ACSS2 | AceCS | AceCS1 | Acetate--CoA ligase | Acetyl-CoA synthetase | Acetyl-CoA synthetase 1 | Acetyl-coenzyme A synthetase, cytoplasmic | Acyl-CoA synthetase short-chain family member 2 | Acyl-activating enzyme | Propionate--CoA ligase
Type:
PROTEIN
Mol. Mass.:
78577.73
Organism:
Homo sapiens
Description:
ChEMBL_119217
Residue:
701
Sequence:
MGLPEERVRSGSGSRGQEEAGAGGRARSWSPPPEVSRSAHVPSLQRYRELHRRSVEEPREFWGDIAKEFYWKTPCPGPFLRYNFDVTKGKIFIEWMKGATTNICYNVLDRNVHEKKLGDKVAFYWEGNEPGETTQITYHQLLVQVCQFSNVLRKQGIQKGDRVAIYMPMIPELVVAMLACARIGALHSIVFAGFSSESLCERILDSSCSLLITTDAFYRGEKLVNLKELADEALQKCQEKGFPVRCCIVVKHLGRAELGMGDSTSQSPPIKRSCPDVQISWNQGIDLWWHELMQEAGDECEPEWCDAEDPLFILYTSGSTGKPKGVVHTVGGYMLYVATTFKYVFDFHAEDVFWCTADIGWITGHSYVTYGPLANGATSVLFEGIPTYPDVNRLWSIVDKYKVTKFYTAPTAIRLLMKFGDEPVTKHSRASLQVLGTVGEPINPEAWLWYHRVVGAQRCPIVDTFWQTETGGHMLTPLPGATPMKPGSATFPFFGVAPAILNESGEELEGEAEGYLVFKQPWPGIMRTVYGNHERFETTYFKKFPGYYVTGDGCQRDQDGYYWITGRIDDMLNVSGHLLSTAEVESALVEHEAVAEAAVVGHPHPVKGECLYCFVTLCDGHTFSPKLTEELKKQIREKIGPIATPDYIQNAPGLPKTRSGKIMRRVLRKIAQNDHDLGDMSTVADPSVISHLFSHRCLTIQ
  
Inhibitor
Name:
BDBM615952
Synonyms:
1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-2-{hydroxybis[(2,3,4,5,6-2H5)phenyl]methyl}-5-methoxy-1 H-imidazo[4,5-b]pyridine-6-carboxamide | US20230271956, Compound 103 | US20230271956, Compound 37
Type:
Small organic molecule
Emp. Form.:
C27H27N7O3
Mol. Mass.:
497.5484
SMILES:
CCn1cnc(NC(=O)c2cc3n(CC)c(nc3nc2OC)C(O)(c2ccccc2)c2ccccc2)n1
Structure:
Search PDB for entries with ligand similarity: