Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50054019
Substrate
n/a
Meas. Tech.
ChEMBL_89810 (CHEMBL697548)
pH
8±n/a
IC50
18.6±n/a nM
Comments
extracted
Citation
 Nelson, PHCarr, SFDevens, BHEugui, EMFranco, FGonzalez, CHawley, RCLoughhead, DGMilan, DJPapp, EPatterson, JWRouhafza, SSjogren, EBSmith, DBStephenson, RATalamas, FXWaltos, AMWeikert, RJWu, JC Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase by nuclear variants of mycophenolic acid. J Med Chem 39:4181-96 (1996) [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:
BDBM50054019
Synonyms:
(E)-6-(4-Hydroxy-6,7-dimethyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid | CHEMBL443814
Type:
Small organic molecule
Emp. Form.:
C17H20O5
Mol. Mass.:
304.3377
SMILES:
C\C(CCC(O)=O)=C/Cc1c(C)c(C)c2COC(=O)c2c1O
Structure:
Search PDB for entries with ligand similarity: