Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50263242
Substrate
n/a
Meas. Tech.
ChEMBL_490551 (CHEMBL981157)
IC50
23600±n/a nM
Citation
 Chen, L; Petrelli, R; Olesiak, M; Wilson, DJ; Labello, NP; Pankiewicz, KW Bis(sulfonamide) isosters of mycophenolic adenine dinucleotide analogues: inhibition of inosine monophosphate dehydrogenase. Bioorg Med Chem 16:7462-9 (2008) [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:
BDBM50263242
Synonyms:
2-{(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-sulfamoyl}-methanesulfonylamino)-methyl]-3,4-dihydroxy-tetrahydro-furan-2-yl}-thiazole-4-carboxylic acid amide | CHEMBL508103
Type:
Small organic molecule
Emp. Form.:
C20H27N9O11S3
Mol. Mass.:
665.677
SMILES:
NC(=O)c1csc(n1)[C@@H]1O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Structure:
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