Reaction Details  Report a problem with these data
Target
Geranylgeranyl pyrophosphate synthase
Ligand
BDBM50520637
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:
BDBM50520637
Synonyms:
CHEMBL4577077 | US11279719, Example I-37
Type:
Small organic molecule
Emp. Form.:
C21H19FN4O8P2S
Mol. Mass.:
568.408
SMILES:
COc1ccc(NC(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1F
Structure:
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