Reaction Details  Report a problem with these data
Target
Geranylgeranyl pyrophosphate synthase
Ligand
BDBM543994
Substrate
n/a
Meas. Tech.
In Vitro hGGPPS Inhibition Assay
IC50
2550±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:
BDBM543994
Synonyms:
US11279719, Example I-26
Type:
Small organic molecule
Emp. Form.:
C24H23F3N4O8P2S
Mol. Mass.:
646.469
SMILES:
CO[C@](Cc1ccccc1)(C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1)C(F)(F)F |r|
Structure:
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