Target
Acetyl-coenzyme A synthetase, cytoplasmic
Ligand
BDBM644905
Substrate
n/a
Meas. Tech.
Biochemical Activity ACSS2 Assay
IC50
<1±n/a nM
Citation
 FUCHSS, TKoetzner, LSchindler, CKuhn, 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:
BDBM644905
Synonyms:
US20240009175, Compound 12 | US20240009175, Compound 13 | [3-Ethyl-7-methoxy-6-(1H-tetrazol-5-yl)- imidazo[1,2-a]pyridin-2-yl]-(5-methyl- thiophen-2-yl)-phenyl-methanol
Type:
Small organic molecule
Emp. Form.:
C23H22N6O2S
Mol. Mass.:
446.525
SMILES:
CCc1c(nc2cc(OC)c(cn12)-c1nnn[nH]1)C(O)(c1ccc(C)s1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: