Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50185589
Substrate
n/a
Meas. Tech.
ChEMBL_371820 (CHEMBL865551)
IC50
37±n/a nM
Citation
 Watkins, WJ; Chen, JM; Cho, A; Chong, L; Collins, N; Fardis, M; Huang, W; Hung, M; Kirschberg, T; Lee, WA; Liu, X; Thomas, W; Xu, J; Zeynalzadegan, A; Zhang, J Phosphonic acid-containing analogues of mycophenolic acid as inhibitors of IMPDH. Bioorg Med Chem Lett 16:3479-83 (2006) [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:
BDBM50185589
Synonyms:
(E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enylamino)ethylphosphonic acid | CHEMBL208921
Type:
Small organic molecule
Emp. Form.:
C18H26NO6P
Mol. Mass.:
383.3759
SMILES:
CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O |w:15.16|
Structure:
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