Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50010604
Substrate
n/a
Meas. Tech.
ChEBML_89676
IC50
1200±n/a nM
Citation
 Nelson, PH; Eugui, E; Wang, CC; Allison, AC Synthesis and immunosuppressive activity of some side-chain variants of mycophenolic acid. J Med Chem 33:833-8 (1990) [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:
BDBM50010604
Synonyms:
7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hepta-4,5-dienoic acid | CHEMBL167966
Type:
Small organic molecule
Emp. Form.:
C18H20O6
Mol. Mass.:
332.3478
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1CC=C=C(C)CCC(O)=O |(6.21,-15.73,;6.21,-14.19,;4.88,-13.42,;3.53,-14.19,;3.53,-15.73,;2.2,-13.42,;.75,-13.91,;-.16,-12.67,;.73,-11.42,;.26,-9.96,;2.2,-11.88,;3.53,-11.11,;3.53,-9.57,;4.88,-11.88,;6.21,-11.11,;7.54,-11.86,;8.87,-11.09,;10.2,-11.86,;10.2,-13.4,;11.55,-11.09,;12.88,-11.86,;14.21,-11.11,;15.55,-11.88,;14.22,-9.57,)|
Structure:
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