Reaction Details  Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM36510
Substrate
n/a
Meas. Tech.
ChEMBL_1837788 (CHEMBL4337921)
IC50
1300±n/a nM
Citation
 Feng, Y; Park, J; Li, SG; Boutin, R; Viereck, P; Schilling, MA; Berghuis, AM; Tsantrizos, YS Chirality-Driven Mode of Binding of ?-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J Med Chem 62:9691-9702 (2019) [PubMed]  Article
Target
Name:
Farnesyl pyrophosphate synthase
Synonyms:
Dimethylallyltranstransferase | FDPS | FPP synthase | FPP synthetase | FPPS_HUMAN | FPS | Farnesyl diphosphate synthase | Farnesyl diphosphate synthase (FPPS) | Farnesyl diphosphate synthetase | Farnesyl pyrophosphate synthase (FPPS) | Farnesyl pyrophosphate synthetase | Geranyltranstransferase | KIAA1293 | P14324
Type:
Enzyme
Mol. Mass.:
48272.89
Organism:
Homo sapiens (Human)
Description:
P14324
Residue:
419
Sequence:
MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCWCQAWTEEPRALCSSLRMNGDQNSDVYAQEKQDFVQHFSQIVRVLTEDEMGHPEIGDAIARLKEVLEYNAIGGKYNRGLTVVVAFRELVEPRKQDADSLQRAWTVGWCVELLQAFFLVADDIMDSSLTRRGQICWYQKPGVGLDAINDANLLEACIYRLLKLYCREQPYYLNLIELFLQSSYQTEIGQTLDLLTAPQGNVDLVRFTEKRYKSIVKYKTAFYSFYLPIAAAMYMAGIDGEKEHANAKKILLEMGEFFQIQDDYLDLFGDPSVTGKIGTDIQDNKCSWLVVQCLQRATPEQYQILKENYGQKEAEKVARVKALYEELDLPAVFLQYEEDSYSHIMALIEQYAAPLPPAVFLGLARKIYKRRK
  
Inhibitor
Name:
BDBM36510
Synonyms:
1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, 11 | CID46398840
Type:
Small organic molecule
Emp. Form.:
C15H11NO4
Mol. Mass.:
269.2521
SMILES:
OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: