Reaction Details Report a problem with these data
Target
Imidazoleglycerol-phosphate dehydratase
Ligand
BDBM50079741
Substrate
n/a
Meas. Tech.
ChEMBL_90659 (CHEMBL700890)
IC50
800±n/a nM
Citation
 Schweitzer, BA; Loida, PJ; Thompson-Mize, RL; CaJacob, CA; Hegde, SG Design and synthesis of beta-carboxamido phosphonates as potent inhibitors of imidazole glycerol phosphate dehydratase. Bioorg Med Chem Lett 9:2053-8 (1999) [PubMed]  Article 
Target
Name:
Imidazoleglycerol-phosphate dehydratase
Synonyms:
HIS3 | HIS7_CRYNB | IGPD
Type:
PROTEIN
Mol. Mass.:
21976.83
Organism:
Cryptococcus neoformans
Description:
ChEMBL_90660
Residue:
202
Sequence:
MSERIASVERTTSETHISCTIDLDHIPGVTEQKINVSTGIGFLDHMFTALAKHGGMSLQLQCKGDLHIDDHHTAEDCALALGEAFKKALGERKGIKRYGYAYAPLDESLSRAVIDISSRPYFMCHLPFTREKVGDLSTEMVSHLLQSFAFAAGVTLHIDSIRGENNHHIAESAFKALALAIRMAISRTGGDDVPSTKGVLAL
  
Inhibitor
Name:
BDBM50079741
Synonyms:
CHEMBL294077 | {2-[3-(2-Methyl-[1,3]dithiolan-2-yl)-propionylamino]-3-[1,2,4]triazol-1-yl-propyl}-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C12H21N4O4PS2
Mol. Mass.:
380.423
SMILES:
CC1(CCC(=O)NC(Cn2cncn2)CP(O)(O)=O)SCCS1
Structure:
Search PDB for entries with ligand similarity: