Reaction Details Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50559031
Substrate
n/a
Meas. Tech.
ChEMBL_2067515 (CHEMBL4722768)
Kd
72000±n/a nM
Citation
 Liu, Q; Miao, Y; Wang, X; Lv, G; Peng, Y; Li, K; Li, M; Qiu, L; Lin, J Structure-based virtual screening and biological evaluation of novel non-bisphosphonate farnesyl pyrophosphate synthase inhibitors. Eur J Med Chem 186:0 (2020) [PubMed]  Article 
Target
Name:
Farnesyl pyrophosphate synthase
Synonyms:
(2E,6E)-farnesyl diphosphate synthase | 2.5.1.1 | 2.5.1.10 | CR 39 | Cholesterol-regulated 39 kDa protein | Dimethylallyltranstransferase | FPP synthase | FPPS_RAT | FPS | Farnesyl diphosphate synthase | Farnesyl pyrophosphate synthase | Fdps | Geranyltranstransferase
Type:
PROTEIN
Mol. Mass.:
40823.17
Organism:
Rattus norvegicus
Description:
ChEMBL_103143
Residue:
353
Sequence:
MNGDQKLDVHNQEKQNFIQHFSQIVKVLTEDELGHPEKGDAITRIKEVLEYNTVGGKYNRGLTVVQTFQELVEPRKQDAESLQRALTVGWCVELLQAFFLVLDDIMDSSYTRRGQICWYQKPGIGLDAINDALLLEAAIYRLLKFYCREQPYYLNLLELFLQSSYQTEIGQTLDLITAPQGQVDLGRYTEKRYKSIVKYKTAFYSFYLPIAAAMYMAGIDGEKEHANALKILLEMGEFFQIQDDYLDLFGDPSVTGKVGTDIQDNKCSWLVVQCLLRATPQQRQILEENYGQKDPEKVARVKALYEELDLRSVFFKYEEDSYNRLKSLIEQCSAPLPPSIFLELANKIYKRRK
  
Inhibitor
Name:
BDBM50559031
Synonyms:
CHEMBL2137967
Type:
Small organic molecule
Emp. Form.:
C20H31N3O5S
Mol. Mass.:
425.542
SMILES:
CC(C)Oc1ccc(CNC(=O)C2CCCN(C2)S(=O)(=O)N2CCOCC2)cc1
Structure:
Search PDB for entries with ligand similarity: