Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50416536
Substrate
n/a
Meas. Tech.
ChEMBL_649328 (CHEMBL1219026)
Ki
4400±n/a nM
Citation
 Chen, L; Petrelli, R; Gao, G; Wilson, DJ; McLean, GT; Jayaram, HN; Sham, YY; Pankiewicz, KW Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylase based on a cinnamic hydroxamic acid core structure. Bioorg Med Chem 18:5950-64 (2010) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase 1
Synonyms:
IMDH1_HUMAN | IMP dehydrogenase 1 | IMPD 1 | IMPD1 | IMPDH-I | IMPDH1 | Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) | Inosine-5'-monophosphate dehydrogenase (IMPDH)
Type:
Enzyme
Mol. Mass.:
55407.70
Organism:
Homo sapiens (Human)
Description:
Recombinant IMPDH1 expressed in E. coli.
Residue:
514
Sequence:
MADYLISGGTGYVPEDGLTAQQLFASADGLTYNDFLILPGFIDFIADEVDLTSALTRKITLKTPLISSPMDTVTEADMAIAMALMGGIGFIHHNCTPEFQANEVRKVKKFEQGFITDPVVLSPSHTVGDVLEAKMRHGFSGIPITETGTMGSKLVGIVTSRDIDFLAEKDHTTLLSEVMTPRIELVVAPAGVTLKEANEILQRSKKGKLPIVNDCDELVAIIARTDLKKNRDYPLASKDSQKQLLCGAAVGTREDDKYRLDLLTQAGVDVIVLDSSQGNSVYQIAMVHYIKQKYPHLQVIGGNVVTAAQAKNLIDAGVDGLRVGMGCGSICITQEVMACGRPQGTAVYKVAEYARRFGVPIIADGGIQTVGHVVKALALGASTVMMGSLLAATTEAPGEYFFSDGVRLKKYRGMGSLDAMEKSSSSQKRYFSEGDKVKIAQGVSGSIQDKGSIQKFVPYLIAGIQHGCQDIGARSLSVLRSMMYSGELKFEKRTMSAQIEGGVHGLHSYEKRLY
  
Inhibitor
Name:
BDBM50416536
Synonyms:
CHEMBL1215242
Type:
Small organic molecule
Emp. Form.:
C22H20N4O6
Mol. Mass.:
436.4174
SMILES:
COc1cc(NC(=O)C(=O)NCc2cccc(\C=C\C(=O)NO)c2)ccc1-c1cnco1
Structure:
Search PDB for entries with ligand similarity: