Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50249882
Substrate
n/a
Meas. Tech.
ChEMBL_498030 (CHEMBL1000233)
IC50
240±n/a nM
Citation
 Müller, MQ; de Koning, LJ; Schmidt, A; Ihling, C; Syha, Y; Rau, O; Mechtler, K; Schubert-Zsilavecz, M; Sinz, A An innovative method to study target protein-drug interactions by mass spectrometry. J Med Chem 52:2875-9 (2009) [PubMed]  Article
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:
BDBM50249882
Synonyms:
(S)-N-(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(4-oxo-4-(4-(trifluoromethyl)phenyl)but-2-en-2-ylamino)propyl)propionamide | CHEMBL500272 | GW-6471 | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
Type:
Small organic molecule
Emp. Form.:
C35H36F3N3O4
Mol. Mass.:
619.6732
SMILES:
CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N=C(C)CC(=O)c1ccc(cc1)C(F)(F)F |r,w:30.33|
Structure:
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