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Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50519889
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:
BDBM50519889
Synonyms:
CHEMBL4466846
Type:
Small organic molecule
Emp. Form.:
C28H22ClF3N2O4
Mol. Mass.:
542.933
SMILES:
CC(C)(C)OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(42.68,-30.58,;41.91,-29.25,;42.68,-27.91,;43.44,-29.24,;40.37,-29.25,;39.6,-27.92,;40.36,-26.58,;38.06,-27.92,;37.29,-29.26,;35.75,-29.26,;34.98,-27.92,;33.44,-27.92,;32.67,-29.26,;33.44,-30.59,;31.14,-29.26,;29.9,-30.19,;28.64,-29.29,;29.09,-27.81,;30.64,-27.79,;31.53,-26.53,;33.07,-26.67,;33.96,-25.4,;33.31,-24,;31.76,-23.86,;30.88,-25.13,;29.92,-31.72,;31.26,-32.47,;32.58,-31.68,;31.28,-34.01,;29.95,-34.8,;28.61,-34.05,;28.59,-32.51,;27.25,-31.75,;27.23,-30.21,;25.92,-32.53,;25.91,-30.98,;35.74,-26.59,;37.28,-26.58,)|
Structure:
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