Covpdb









Ligand
Ligand Name:   15-deoxy-delta12,14-prostaglandin J2
Ligand Type:   non-polymer
Ligand ID:   COVPDB1241 PubChem:   12068863
Synonym(s):  
  •   schembl14379041
  • zinc33938135
  • brd-k61033289-001-01-2
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCC\C=C\C=C1/[C@@H](C\C=C\CCCC(O)=O)C=CC1=O
Standard InChI:   InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13+/t17-/m0/s1
Molecular Formula:   C20H28O3 Mol. Weight:   316.20386 logP:   5.0056
HBD:   1 HBA:   2
#Rotatable Bonds:   11 TPSA:   54.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Peroxisome proliferator-activated receptor gamma P37231 (PPARG_HUMAN) Homo sapiens (Human) 2ZK2 PTG
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