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Target
Acetyl-coenzyme A synthetase, cytoplasmic
Ligand
BDBM50574370
Substrate
n/a
Meas. Tech.
ChEMBL_2122327 (CHEMBL4831474)
IC50
0.010000±n/a nM
Citation
 Sabnis, RW Amide-Substituted Condensed Pyridine Derivatives as ACSS2 Inhibitors for Treating Cancer. ACS Med Chem Lett 12:1870-1871 (2021) [PubMed]  Article 
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:
BDBM50574370
Synonyms:
CHEMBL4846168 | US20230271956, Compound 1
Type:
Small organic molecule
Emp. Form.:
C27H25ClN6O2
Mol. Mass.:
500.979
SMILES:
CCc1c(nn2cc(Cl)c(cc12)C(=O)Nc1ncn(CC)n1)C(O)(c1ccccc1)c1ccccc1
Structure:
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