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Structure of PDB 5ycp Chain A Binding Site BS02

Receptor Information >5ycp Chain A (length=263) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] LNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMN SLMMGEDKQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQ VTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFM EPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLL QALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMS LHPLLQEIYKDLY

Ligand information Ligand ID BRL InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m0/s1 InChIKey YASAKCUCGLMORW-HNNXBMFYSA-N SMILES Software SMILES CACTVS 3.341 CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3ccccn3 ACDLabs 10.04 O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3 OpenEye OEToolkits 1.5.0 CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3 CACTVS 3.341 CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c3ccccn3 OpenEye OEToolkits 1.5.0 CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3 Formula C18 H19 N3 O3 S Name 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL); BRL49653; ROSIGLITAZONE ChEMBL CHEMBL121106 DrugBank ZINC ZINC000000968328 PDB chain 5ycp Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 5ycp Structural Basis for the Enhanced Anti-Diabetic Efficacy of Lobeglitazone on PPAR gamma. Resolution 2.0 Å Binding residue (original residue number in PDB) F282 C285 S289 H323 I341 H449 Y473 Binding residue (residue number reindexed from 1) F68 C71 S75 H109 I127 H235 Y259 Annotation score 1 Binding affinity BindingDB: EC50=40nM,IC50=1.000000nM,Ki=8nM,Kd=0.145000nM

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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