PDB Entry (2vv4)
PDB ID: 2vv4 Resolution: 2.35 Å Exp. Method: X-RAY DIFFRACTION
PMID: 19172745 DOI: 10.1038/NSMB.1474
Protein
Protein Name: Peroxisome proliferator-activated receptor gamma
Uniprot ID/ACC: P37231 (PPARG_HUMAN) Organism: Homo sapiens (Human)
Gene Symbol: PPARG Gene ID: 5468
Protein Class: TRANSCRIPTION REGULATOR
Ligand
Ligand Name:   6-oxooctadecatrienoic acid
Canonical SMILES:   CCCCC\C=C/C\C=C\C=C\C(=O)CCCCC(O)=O
Standard InChI:   InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h6-7,9-11,14H,2-5,8,12-13,15-16H2,1H3,(H,20,21)/b7-6-,10-9+,14-11+
HET Code:   6OC PubChem:   -
DrugBank:   - ChEMBL:   -
Molecular Formula:   C18H28O3 Mol. Weight:   292.20386 logP:   4.8395
HBD:   1 HBA:   2
#Rotatable Bonds:   13 TPSA:   54.37
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Binding Affinity
-