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Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50591479
Substrate
n/a
Meas. Tech.
ChEMBL_2200569 (CHEMBL5113085)
IC50
7500±n/a nM
Citation
 Orsi, DL; Pook, E; Bräuer, N; Friberg, A; Lienau, P; Lemke, CT; Stellfeld, T; Brüggemeier, U; Pütter, V; Meyer, H; Baco, M; Tang, S; Cherniack, AD; Westlake, L; Bender, SA; Kocak, M; Strathdee, CA; Meyerson, M; Eis, K; Goldstein, JT Discovery and Structure-Based Design of Potent Covalent PPAR? Inverse-Agonists  J Med Chem 65:14843-14863 (2022) [PubMed] 
Target
Name:
Peroxisome proliferator-activated receptor alpha
Synonyms:
NR1C1 | Nuclear receptor subfamily 1 group C member 1 | PPAR | PPAR alpha/gamma | PPAR-alpha | PPARA | PPARA_HUMAN | Peroxisome Proliferator-Activated Receptor alpha | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor alpha (PPAR alpha)
Type:
Enzyme
Mol. Mass.:
52222.08
Organism:
Homo sapiens (Human)
Description:
Q07869
Residue:
468
Sequence:
MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFGFTEYQYLGSCPGSDGSVITDTLSPASSPSSVTYPVVPGSVDESPSGALNIECRICGDKASGYHYGVHACEGCKGFFRRTIRLKLVYDKCDRSCKIQKKNRNKCQYCRFHKCLSVGMSHNAIRFGRMPRSEKAKLKAEILTCEHDIEDSETADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY
  
Inhibitor
Name:
BDBM50591479
Synonyms:
CHEMBL5187164
Type:
Small organic molecule
Emp. Form.:
C22H16BrN3O4
Mol. Mass.:
466.284
SMILES:
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Structure:
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