Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A synthetase, cytoplasmic
Ligand
BDBM615951
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:
BDBM615951
Synonyms:
N-(1-ethyl-1H-1,2,4-triazol-3-yl)-2-(hydroxydiphenylmethyl)-5-methoxy-1-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide | US20230271956, Compound 36
Type:
Small organic molecule
Emp. Form.:
C26H25N7O3
Mol. Mass.:
483.5218
SMILES:
CCn1cnc(NC(=O)c2cc3n(C)c(nc3nc2OC)C(O)(c2ccccc2)c2ccccc2)n1
Structure:
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