Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase 1
Ligand
BDBM50126005
Substrate
n/a
Meas. Tech.
ChEBML_233
IC50
160±n/a nM
Citation
 Watterson, SH; Dhar, TG; Ballentine, SK; Shen, Z; Barrish, JC; Cheney, D; Fleener, CA; Rouleau, KA; Townsend, R; Hollenbaugh, DL; Iwanowicz, EJ Novel indole-based inhibitors of IMPDH: introduction of hydrogen bond acceptors at indole C-3. Bioorg Med Chem Lett 13:1273-6 (2003) [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:
BDBM50126005
Synonyms:
2-Benzo[b]thiophen-3-yl-6-methoxy-5-oxazol-5-yl-1H-indole-3-carbaldehyde | CHEMBL23716
Type:
Small organic molecule
Emp. Form.:
C21H14N2O3S
Mol. Mass.:
374.412
SMILES:
COc1cc2[nH]c(c(C=O)c2cc1-c1cnco1)-c1csc2ccccc12
Structure:
Search PDB for entries with ligand similarity: