Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50331099
Substrate
n/a
Meas. Tech.
ChEMBL_686240 (CHEMBL1292996)
IC50
790±n/a nM
Citation
 Mitsuhashi, S; Takenaka, J; Iwamori, K; Nakajima, N; Ubukata, M Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase and differentiation induction of K562 cells among the mycophenolic acid derivatives. Bioorg Med Chem 18:8106-11 (2010) [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:
BDBM50331099
Synonyms:
7-Hydroxy-6-((E)-6-hydroxy-3-methyl-hex-2-enyl)-5-methoxy-4-methyl-3H-isobenzofuran-1-one | 7-Hydroxy-6-[(E)-6-hydroxy-3-methylhex-2-enyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one | CHEMBL157617
Type:
Small organic molecule
Emp. Form.:
C17H22O5
Mol. Mass.:
306.3536
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCO
Structure:
Search PDB for entries with ligand similarity: