Reaction Details  Report a problem with these data
Target
Geranylgeranyl pyrophosphate synthase
Ligand
BDBM544003
Substrate
n/a
Meas. Tech.
In Vitro hGGPPS Inhibition Assay
IC50
<100±n/a nM
Citation
 Tsantrizos, YS; Sebag, M Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof US Patent  US11279719 Publication Date 3/22/2022
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:
BDBM544003
Synonyms:
US11279719, Example I-35
Type:
Small organic molecule
Emp. Form.:
C20H16F3N5O7P2S
Mol. Mass.:
589.378
SMILES:
OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1)P(O)(O)=O
Structure:
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