Structure of PDB 1wm0 Chain X Binding Site BS02

Receptor Information
>1wm0 Chain X (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEGRLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVI
YDMNSLMMGEDKIKFKHISKEVAIRIFQGCQFRSVEAVQEITEYAKSIPG
FVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKS
LRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKP
IEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQV
IKKTETDMSLHPLLQEIYKDLY
Ligand information
Ligand IDPLB
InChIInChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
InChIKeyVNDRRWBKNSHALL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)cc3Cl
ACDLabs 10.04Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3
OpenEye OEToolkits 1.5.0c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl
FormulaC18 H11 Cl2 N3 O4
Name2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID;
5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
ChEMBLCHEMBL1204498
DrugBankDB08402
ZINCZINC000012358153
PDB chain1wm0 Chain X Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wm0 A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F264 H266 G284 C285 R288 I341 S342 M348
Binding residue
(residue number reindexed from 1)		F65 H67 G79 C80 R83 I136 S137 M143
Annotation score1
Binding affinityBindingDB: EC50=1300nM
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:1wm0, PDBe:1wm0, PDBj:1wm0
PDBsum1wm0
PubMed15258145
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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