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Target
Geranylgeranyl pyrophosphate synthase
Ligand
BDBM12581
Substrate
BDBM25257
Meas. Tech.
GGPP Synthase Inhibition Assay
IC50
181970±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
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:
BDBM12581
Synonyms:
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid | Bisphosphonate 6 | CHEMBL834 | JMC515594 Compound 62
Type:
Small organic molecule
Emp. Form.:
C3H11NO7P2
Mol. Mass.:
235.0695
SMILES:
NCCC(O)(P(O)(O)=O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM25257
Synonyms:
({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid | [14C]IPP | [14C]isopentenyl diphosphate
Type:
radiolabeled substrate
Emp. Form.:
C5H12O7P2
Mol. Mass.:
246.0921
SMILES:
CC(=C)CCOP(O)(=O)OP(O)(O)=O
Structure:
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