Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50263245
Substrate
n/a
Meas. Tech.
ChEMBL_490552 (CHEMBL981158)
Ki
180±n/a nM
Citation
 Chen, L; Petrelli, R; Olesiak, M; Wilson, DJ; Labello, NP; Pankiewicz, KW Bis(sulfonamide) isosters of mycophenolic adenine dinucleotide analogues: inhibition of inosine monophosphate dehydrogenase. Bioorg Med Chem 16:7462-9 (2008) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase 2
Synonyms:
IMDH2_HUMAN | IMP dehydrogenase 2 | IMPD 2 | IMPD2 | IMPDH-II | IMPDH2 | Inosine 5'-monophosphate dehydrogenase II (IMPDH II) | Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) | Inosine-5 -monophosphate dehydrogenase 2 | Inosine-5'-monophosphate dehydrogenase (IMPDH)
Type:
Enzyme
Mol. Mass.:
55806.87
Organism:
Homo sapiens (Human)
Description:
Recombinant IMPDH2 expressed in E. coli.
Residue:
514
Sequence:
MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVVLSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMTKREDLVVAPAGITLKEANEILQRSKKGKLPIVNEDDELVAIIARTDLKKNRDYPLASKDAKKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVIGGNVVTAAQAKNLIDAGVDALRVGMGSGSICITQEVLACGRPQATAVYKVSEYARRFGVPVIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGEYFFSDGIRLKKYRGMGSLDAMDKHLSSQNRYFSEADKIKVAQGVSGAVQDKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVRAMMYSGELKFEKRTSSAQVEGGVHSLHSYEKRLF
  
Inhibitor
Name:
BDBM50263245
Synonyms:
CHEMBL389392 | N-(((2R,3S,4R,5R)-5-(6-amino-2-ethynyl-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl)-N-(2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)methanedisulfonamide | N-5-(6-amino-2-ethynyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-N-(2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)methanebis(sulfurous)acid
Type:
Small organic molecule
Emp. Form.:
C25H29N7O11S2
Mol. Mass.:
667.668
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C |r|
Structure:
Search PDB for entries with ligand similarity: