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Target
Geranylgeranyl pyrophosphate synthase
Ligand
BDBM50452821
Substrate
n/a
Meas. Tech.
ChEMBL_1748450 (CHEMBL4182960)
IC50
100±n/a nM
Citation
 Matthiesen, RA; Varney, ML; Xu, PC; Rier, AS; Wiemer, DF; Holstein, SA ?-Methylation enhances the potency of isoprenoid triazole bisphosphonates as geranylgeranyl diphosphate synthase inhibitors. Bioorg Med Chem 26:376-385 (2018) [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:
BDBM50452821
Synonyms:
CHEMBL4208809
Type:
Small organic molecule
Emp. Form.:
C16H25N3Na4O6P2
Mol. Mass.:
509.2928
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Structure:
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