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Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50245886
Substrate
n/a
Meas. Tech.
ChEMBL_2067515 (CHEMBL4722768)
Kd
328000±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:
BDBM50245886
Synonyms:
4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)benzaldehyde | 4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)benzaldehyde | 4-formylphenyl-O-beta-D-glucopyranoside | 4-formylphenyl-O-beta-Dglucopyranoside | CHEMBL461515
Type:
Small organic molecule
Emp. Form.:
C13H16O7
Mol. Mass.:
284.2619
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure:
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