Reaction Details Report a problem with these data
Target
Geranylgeranyl pyrophosphate synthase
Ligand
BDBM25288
Substrate
BDBM25257
Meas. Tech.
GGPP Synthase Inhibition Assay
IC50
3980±n/a nM
Citation
K-M Chen, C; Hudock, MP; Zhang, Y; Guo, RT; Cao, R; No, JH; Liang, PH; Ko, TP; Chang, TH; Chang, SC; Song, Y; Axelson, J; Kumar, A; Wang, AH; Oldfield, E Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. J Med Chem 51:5594-607 (2008) [PubMed] Article
More Info.:
Target
Name:
Geranylgeranyl pyrophosphate synthase
Synonyms:
Dimethylallyltranstransferase | Farnesyltranstransferase | GGPP synthetase | GGPPS_HUMAN | GGPPSase | GGPS1 | Geranylgeranyl Diphosphate Synthase (GGPPS) | Geranylgeranyl diphosphate synthase | Geranylgeranyl pyrophosphate synthetase | Geranyltranstransferase
Type:
Homooctamer; transferase
Mol. Mass.:
34867.94
Organism:
Homo sapiens (Human)
Description:
Recombinant human GGPPS was cloned and expressed in E. coli.
Residue:
300
Sequence:
MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIIIEVTEMLHNASLLIDDIEDNSKLRRGFPVAHSIYGIPSVINSANYVYFLGLEKVLTLDHPDAVKLFTRQLLELHQGQGLDIYWRDNYTCPTEEEYKAMVLQKTGGLFGLAVGLMQLFSDYKEDLKPLLNTLGLFFQIRDDYANLHSKEYSENKSFCEDLTEGKFSFPTIHAIWSRPESTQVQNILRQRTENIDIKKYCVHYLEDVGSFEYTRNTLKELEAKAYKQIDARGGNPELVALVKHLSKMFKEENE
Inhibitor
Name:
BDBM25288
Synonyms:
BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-1-phosphonoethyl]phosphonic acid | bisphosphonate, 8
Type:
Small organic molecule
Emp. Form.:
C20H18O8P2
Mol. Mass.:
448.2996
SMILES:
OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O