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Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50519887
Substrate
n/a
Meas. Tech.
ChEMBL_1878653 (CHEMBL4380047)
IC50
>50000±n/a nM
Citation
 Meijer, FA; Doveston, RG; de Vries, RMJM; Vos, GM; Vos, AAA; Leysen, S; Scheepstra, M; Ottmann, C; Milroy, LG; Brunsveld, L Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Inverse Agonists. J Med Chem 63:241-259 (2020) [PubMed]  Article 
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:
BDBM50519887
Synonyms:
CHEMBL4457177
Type:
Small organic molecule
Emp. Form.:
C24H14ClF3N2O4
Mol. Mass.:
486.827
SMILES:
OC(=O)c1ccc(cc1)C(=O)Nc1c(noc1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F |(41.67,-9.99,;41.39,-8.48,;42.56,-7.48,;39.94,-7.97,;38.77,-8.97,;37.32,-8.46,;37.04,-6.95,;38.2,-5.95,;39.65,-6.45,;35.59,-6.44,;35.31,-4.92,;34.42,-7.44,;32.97,-6.93,;31.7,-7.81,;30.47,-6.86,;30.97,-5.41,;32.53,-5.45,;33.46,-4.23,;34.99,-4.43,;35.92,-3.21,;35.33,-1.79,;33.8,-1.59,;32.87,-2.81,;31.72,-9.39,;33.09,-10.15,;34.45,-9.34,;33.11,-11.73,;31.75,-12.54,;30.37,-11.76,;30.35,-10.19,;29.02,-9.43,;29,-7.89,;27.69,-10.21,;27.67,-8.66,)|
Structure:
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