Reaction Details Report a problem with these data
Target
Putative farnesyl pyrophosphate synthase
Ligand
BDBM12578
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
7.7±0
Temperature
310.15±0 K
Ki
0.050±0.038 nM
IC50
30.1±1.1 nM
Citation
Artz, JD; Dunford, JE; Arrowood, MJ; Dong, A; Chruszcz, M; Kavanagh, KL; Minor, W; Russell, RG; Ebetino, FH; Oppermann, U; Hui, R Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis. Chem Biol 15:1296-306 (2008) [PubMed] Article
More Info.:
Target
Name:
Putative farnesyl pyrophosphate synthase
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
44960.82
Organism:
Cryptosporidium parvum
Description:
Belongs to the FPP/GGPP synthase family. Q5CR09
Residue:
384
Sequence:
ILFHLLKITFIDSIFFALHDNYLTPQFIFNKMNDLQIEYDYTDFINYYDKFKVIVYNVLKKLPLNDEIRKPVIEYYLNCIDYNVKKGKHIRGKILVLISSLSSAYSNIKRDSIYLLGWVVEAIQALILIADDIMDSGKFRRGAPCWYIVHGQSNAINDIFFLKMLSLSLIFELSSVFGNDIVMKIQKIYNESIFFTVLGQHLDLSYFDLSKADKISERYFSMVEMKTSRYTFYMPVFFGLTLSEIQVSSAQLNLIEAILYKLGEFYQVHNDVSDYLFNDSNADDICRFKLTWPLQKSFEIADEEMKLKISENYGKNSSLVKDCYNLLKINEHYLEYQRNALDYLIKLVKDITDDSLQKVFIHLIHQISELITNSRSNADSNNSL
Inhibitor
Name:
BDBM12578
Synonyms:
2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosphonic acid | Bisphosphonate 3 | CGP-42446 | CHEMBL924 | JMC515594 Compound 55 | Reclast | US11279719, Example Zolendronic acid (ZOL) | ZOL | Zoledronate | Zometa | [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid | zoledronic acid
Type:
Small organic molecule
Emp. Form.:
C5H10N2O7P2
Mol. Mass.:
272.0896
SMILES:
OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O