Structure of PDB 7p4e Chain A Binding Site BS01

Receptor Information
>7p4e Chain A (length=257) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIY
DMNSLMMGESKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQ
VTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFM
EPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLL
QALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTELHPL
LQEIYKD
Ligand information
Ligand ID5IV
InChIInChI=1S/C27H23F4N3O3S/c28-21-3-1-2-17(12-21)16-34-11-10-18-13-19(5-9-25(18)34)26(35)32-15-20-4-6-22(14-24(20)27(29,30)31)33-38(36,37)23-7-8-23/h1-6,9-14,23,33H,7-8,15-16H2,(H,32,35)
InChIKeyNONHTXRHOREFAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc4ccc(N[S](=O)(=O)C5CC5)cc4C(F)(F)F)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5
FormulaC27 H23 F4 N3 O3 S
Name~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
ChEMBLCHEMBL5084336
DrugBank
ZINC
PDB chain7p4e Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p4e Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G284 C285 R288 S289 H323 Y327 I341 F363 M364 H449
Binding residue
(residue number reindexed from 1)		G70 C71 R74 S75 H109 Y113 I127 F149 M150 H235
Annotation score1
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:7p4e, PDBe:7p4e, PDBj:7p4e
PDBsum7p4e
PubMed34818007
UniProtP37231|PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (Gene Name=PPARG)

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