Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50269522
Substrate
n/a
Meas. Tech.
ChEMBL_1706702 (CHEMBL4057935)
IC50
3400±n/a nM
Citation
 Ibrahim, MK; Eissa, IH; Alesawy, MS; Metwaly, AM; Radwan, MM; ElSohly, MA Design, synthesis, molecular modeling and anti-hyperglycemic evaluation of quinazolin-4(3H)-one derivatives as potential PPAR? and SUR agonists. Bioorg Med Chem 25:4723-4744 (2017) [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:
BDBM50269522
Synonyms:
CHEMBL491324
Type:
Small organic molecule
Emp. Form.:
C22H29N3O5S2
Mol. Mass.:
479.613
SMILES:
CC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1 |(4.45,-33.33,;3.11,-32.56,;1.78,-33.33,;.45,-32.56,;.45,-31.02,;1.78,-30.25,;3.11,-31.02,;-.89,-30.25,;-.89,-28.71,;.45,-27.94,;-2.22,-27.94,;-2.22,-26.4,;-3.76,-26.4,;-.68,-26.4,;-2.22,-24.86,;-.89,-24.09,;-.89,-22.55,;-2.22,-21.78,;-2.22,-20.24,;-.89,-19.47,;-.89,-17.93,;.45,-17.16,;-.32,-15.83,;1.22,-18.49,;1.78,-16.39,;1.78,-14.85,;3.11,-14.08,;4.45,-14.85,;4.45,-16.39,;3.11,-17.16,;-3.55,-22.55,;-3.55,-24.09,)|
Structure:
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