Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50338550
Substrate
n/a
Meas. Tech.
ChEMBL_728666 (CHEMBL1685943)
Ki
39±n/a nM
Citation
 Felczak, K; Chen, L; Wilson, D; Williams, J; Vince, R; Petrelli, R; Jayaram, HN; Kusumanchi, P; Kumar, M; Pankiewicz, KW Cofactor-type inhibitors of inosine monophosphate dehydrogenase via modular approach: targeting the pyrophosphate binding sub-domain. Bioorg Med Chem 19:1594-605 (2011) [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:
BDBM50338550
Synonyms:
CHEMBL1683752 | Mycophenolic ethylenephosphonate-5'-thioadenosine
Type:
Small organic molecule
Emp. Form.:
C24H30N5O10PS
Mol. Mass.:
611.561
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
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