Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A synthetase, cytoplasmic
Ligand
BDBM644909
Substrate
n/a
Meas. Tech.
Biochemical Activity ACSS2 Assay
IC50
<1±n/a nM
Citation
 FUCHSS, T; Koetzner, L; Schindler, C; Kuhn, D TETRAZOLE DERIVATIVES US Patent  US20240009175 Publication Date 1/11/2024 
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:
BDBM644909
Synonyms:
US20240009175, Compound 16 | [3-ethyl-7-methoxy-6-(1 H-1 2,3,4-tetrazol- 5-yl)imidazo[1,2-a]pyridin-2-yl](phenyl)(1,3- thiazol-2-yl)methanol
Type:
Small organic molecule
Emp. Form.:
C21H19N7O2S
Mol. Mass.:
433.486
SMILES:
CCc1c(nc2cc(OC)c(cn12)-c1nnn[nH]1)C(O)(c1nccs1)c1ccccc1
Structure:
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