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Target
Acetyl-coenzyme A synthetase, cytoplasmic
Ligand
BDBM50517067
Substrate
n/a
Meas. Tech.
ChEMBL_1867284 (CHEMBL4368259)
IC50
5.0±n/a nM
Citation
 Kargbo, RB Inhibition of ACSS2 for Treatment of Cancer and Neuropsychiatric Diseases. ACS Med Chem Lett 10:1100-1101 (2019) [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:
BDBM50517067
Synonyms:
CHEMBL4437243
Type:
Small organic molecule
Emp. Form.:
C19H18F2N4O3
Mol. Mass.:
388.368
SMILES:
COc1ccc(cn1)N1N=C(C)C(C(=O)Nc2cccc(c2)C(C)(F)F)C1=O |t:10|
Structure:
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