Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50614641
Substrate
n/a
Meas. Tech.
ChEMBL_2298071
EC50
12000±n/a nM
Citation
 Jurica, EA; Wu, X; Williams, KN; Haque, LE; Rampulla, RA; Mathur, A; Zhou, M; Cao, G; Cai, H; Wang, T; Liu, H; Xu, C; Kunselman, LK; Antrilli, TM; Hicks, MB; Sun, Q; Dierks, EA; Apedo, A; Moore, DB; Foster, KA; Cvijic, ME; Panemangalore, R; Khandelwal, P; Wilkes, JJ; Zinker, BA; Robertson, DG; Janovitz, EB; Galella, M; Li, YX; Li, J; Ramar, T; Jalagam, PR; Jayaram, R; Whaley, JM; Barrish, JC; Robl, JA; Ewing, WR; Ellsworth, BA Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities. Bioorg Med Chem 85:0 (2023) [PubMed]
Target
Name:
Peroxisome proliferator-activated receptor gamma
Synonyms:
NR1C3 | Nuclear receptor subfamily 1 group C member 3 | PPAR-gamma | PPARG | PPARG_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor gamma (PPAR gamma) | Peroxisome proliferator-activated receptor gamma (PPARG) | Peroxisome proliferator-activated receptor gamma (PPARĪ³) | Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | peroxisome proliferator-activated receptor gamma isoform 2
Type:
Nuclear Receptor
Mol. Mass.:
57613.46
Organism:
Homo sapiens (Human)
Description:
P37231
Residue:
505
Sequence:
MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDLSVMEDHSHSFDIKPFTTVDFSSISTPHYEDIPFTRTDPVVADYKYDLKLQEYQSAIKVEPASPPYYSEKTQLYNKPHEEPSNSLMAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYDRCDLNCRIHKKSRNKCQYCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
  
Inhibitor
Name:
BDBM50614641
Synonyms:
CHEMBL5275737
Type:
Small organic molecule
Emp. Form.:
C27H35FN2O5
Mol. Mass.:
486.5756
SMILES:
CCOc1ccc(F)c(c1)N1CC[C@@H](Oc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)OC)[C@H](C)C1 |r|
Structure:
Search PDB for entries with ligand similarity: