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Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50322457
Substrate
n/a
Meas. Tech.
ChEMBL_643260 (CHEMBL1177071)
Ki
77±n/a nM
Citation
 Chen, L; Wilson, DJ; Xu, Y; Aldrich, CC; Felczak, K; Sham, YY; Pankiewicz, KW Triazole-linked inhibitors of inosine monophosphate dehydrogenase from human and Mycobacterium tuberculosis. J Med Chem 53:4768-78 (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:
BDBM50322457
Synonyms:
6-((E)-4-(((1-(50-Deoxy-adenosin-50-yl)-1H-1,2,3-triazol-4-yl)-methyl)amino)-3-methylbut-2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one | CHEMBL1170849
Type:
Small organic molecule
Emp. Form.:
C28H33N9O7
Mol. Mass.:
607.6177
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CNCc1cn(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)nn1 |r|
Structure:
Search PDB for entries with ligand similarity: