Reaction Details Report a problem with these data
Target
Farnesyl diphosphate synthase
Ligand
BDBM12578
Substrate
n/a
Meas. Tech.
ChEMBL_423086 (CHEMBL910471)
IC50
1100±n/a nM
Citation
 Leon, A; Liu, L; Yang, Y; Hudock, MP; Hall, P; Yin, F; Studer, D; Puan, KJ; Morita, CT; Oldfield, E Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin. J Med Chem 49:7331-41 (2006) [PubMed]  Article 
Target
Name:
Farnesyl diphosphate synthase
Synonyms:
(2E,6E)-farnesyl diphosphate synthase | 2.5.1.10 | FPP synthase | Farnesyl diphosphate synthase | Geranyltranstransferase | ISPA_ECOLI | ispA
Type:
PROTEIN
Mol. Mass.:
32153.72
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_102603
Residue:
299
Sequence:
MDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPFLVYATGHMFGVSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTCHVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGIAGMCGGQALDLDAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAGDKGRRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYPALLGLEQARKKARDLIDDARQSLKQLAEQSLDTSALEALADYIIQRNK
  
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
Structure:
Search PDB for entries with ligand similarity: