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Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50192469
Substrate
n/a
Meas. Tech.
ChEMBL_381625 (CHEMBL869159)
Ki
87±n/a nM
Citation
 Rejman, D; Olesiak, M; Chen, L; Patterson, SE; Wilson, D; Jayaram, HN; Hedstrom, L; Pankiewicz, KW Novel methylenephosphophosphonate analogues of mycophenolic adenine dinucleotide. Inhibition of inosine monophosphate dehydrogenase. J Med Chem 49:5018-22 (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:
BDBM50192469
Synonyms:
CHEMBL215311 | P1-(adenosin-5'-yl)methylenephospho-P2-[7-hydroxy-6-(ethyl-2-yl)-5-methoxy-4-methylphthalan-1-one]phosphonate
Type:
Small organic molecule
Emp. Form.:
C23H29N5O14P2
Mol. Mass.:
661.449
SMILES:
COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)COP(O)(=O)OCC1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Structure:
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