Target
Inosine-5'-monophosphate dehydrogenase 2
Ligand
BDBM50182916
Substrate
n/a
Meas. Tech.
ChEMBL_351089 (CHEMBL866272)
IC50
4040±n/a nM
Citation
 Beevers, REBuckley, GMDavies, NFraser, JLGalvin, FCHannah, DRHaughan, AFJenkins, KMack, SRPitt, WRRatcliffe, AJRichard, MDSabin, VSharpe, AWilliams, SC Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett 16:2539-42 (2006) [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:
BDBM50182916
Synonyms:
1-methyl-6-({[(methylamino)oxy]carbonyl}amino)-1H-indole-3-carbonitrile | CHEMBL378169
Type:
Small organic molecule
Emp. Form.:
C12H12N4O2
Mol. Mass.:
244.2493
SMILES:
CNOC(=O)Nc1ccc2c(cn(C)c2c1)C#N
Structure:
Search PDB for entries with ligand similarity: