Structure of PDB 1fm9 Chain D Binding Site BS02

Receptor Information
>1fm9 Chain D (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSL
MMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPG
FVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKS
LRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKP
IEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQV
IKKTETDMSLHPLLQEIYKDLY
Ligand information
Ligand ID570
InChIInChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
InChIKeyZZCHHVUQYRMYLW-HKBQPEDESA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1oc(nc1CCOc2ccc(C[CH](Nc3ccccc3C(=O)c4ccccc4)C(O)=O)cc2)c5ccccc5
ACDLabs 10.04O=C(c1ccccc1)c2ccccc2NC(C(=O)O)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5
CACTVS 3.341Cc1oc(nc1CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c4ccccc4)C(O)=O)cc2)c5ccccc5
OpenEye OEToolkits 1.5.0Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(C(=O)O)Nc4ccccc4C(=O)c5ccccc5
OpenEye OEToolkits 1.5.0Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5
FormulaC34 H30 N2 O5
Name2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID;
GI262570;
Farglitazar
ChEMBLCHEMBL107367
DrugBank
ZINCZINC000049639808
PDB chain1fm9 Chain D Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fm9 Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I281 F282 G284 C285 Q286 S289 H323 Y327 L330 I341 F360 F363 M364 H449 L465 L469 Y473
Binding residue
(residue number reindexed from 1)		I76 F77 G79 C80 Q81 S84 H118 Y122 L125 I136 F155 F158 M159 H244 L260 L264 Y268
Annotation score1
Binding affinityMOAD: Ki=1nM
PDBbind-CN: -logKd/Ki=9.00,Ki=1nM
BindingDB: Ki=1.1nM,EC50=0.338844nM,IC50=25nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fm9, PDBe:1fm9, PDBj:1fm9
PDBsum1fm9
PubMed10882139
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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