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Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50338537
Substrate
n/a
Meas. Tech.
ChEMBL_728668 (CHEMBL1685945)
Ki
13±n/a nM
Citation
 Felczak, K; Chen, L; Wilson, D; Williams, J; Vince, R; Petrelli, R; Jayaram, HN; Kusumanchi, P; Kumar, M; Pankiewicz, KW Cofactor-type inhibitors of inosine monophosphate dehydrogenase via modular approach: targeting the pyrophosphate binding sub-domain. Bioorg Med Chem 19:1594-605 (2011) [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:
BDBM50338537
Synonyms:
CHEMBL1683638 | Tiazofurin-5'-yl-2-ethyladenosin-5'-yl-difluromethylene bis(phosphonate)
Type:
Small organic molecule
Emp. Form.:
C22H29F2N7O13P2S
Mol. Mass.:
731.514
SMILES:
CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)C(F)(F)P(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)c4nc(cs4)C(N)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Structure:
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