Reaction Details Report a problem with these data
Target
Adenylosuccinate synthetase isozyme 2
Ligand
BDBM50149203
Substrate
n/a
Meas. Tech.
ChEMBL_29913 (CHEMBL641276)
IC50
675±n/a nM
Citation
 Erlanson, DA; McDowell, RS; O'Brien, T Fragment-based drug discovery. J Med Chem 47:3463-82 (2004) [PubMed]  Article 
Target
Name:
Adenylosuccinate synthetase isozyme 2
Synonyms:
ADSS | ADSS2 | AMPSase 2 | AdSS 2 | Adenylosuccinate synthetase 2 | Adenylosuccinate synthetase isozyme 2 | Adenylosuccinate synthetase, acidic isozyme | IMP--aspartate ligase 2 | PURA2_HUMAN
Type:
PROTEIN
Mol. Mass.:
50096.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_29913
Residue:
456
Sequence:
MAFAETYPAASSLPNGDCGRPRARPGGNRVTVVLGAQWGDEGKGKVVDLLAQDADIVCRCQGGNNAGHTVVVDSVEYDFHLLPSGIINPNVTAFIGNGVVIHLPGLFEEAEKNVQKGKGLEGWEKRLIISDRAHIVFDFHQAADGIQEQQRQEQAGKNLGTTKKGIGPVYSSKAARSGLRMCDLVSDFDGFSERFKVLANQYKSIYPTLEIDIEGELQKLKGYMEKIKPMVRDGVYFLYEALHGPPKKILVEGANAALLDIDFGTYPFVTSSNCTVGGVCTGLGMPPQNVGEVYGVVKAYTTRVGIGAFPTEQDNEIGELLQTRGREFGVTTGRKRRCGWLDLVLLKYAHMINGFTALALTKLDILDMFTEIKVGVAYKLDGEIIPHIPANQEVLNKVEVQYKTLPGWNTDISNARAFKELPVNAQNYVRFIEDELQIPVKWIGVGKSRESMIQLF
  
Inhibitor
Name:
BDBM50149203
Synonyms:
CHEMBL323799 | HYDANTOCIDIN-5'-MONOPHOSPHATE | HYDANTOCIDIN-5'-PHOSPHATE | Phosphohydantocidin | Phosphoric acid mono-((5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diaza-spiro[4.4]non-7-ylmethyl) ester
Type:
Small organic molecule
Emp. Form.:
C7H11N2O9P
Mol. Mass.:
298.144
SMILES:
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@]2(NC(=O)NC2=O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: