Ligand
Ligand Name:   methyl 2-{N-[(3E,5E)-16-azido-2-oxohexadeca-3,5-dien-1-yl]-4-methylbenzenesulfonamido}acetate
Ligand Type:   non-polymer
Ligand ID:   COVPDB412 PubChem:   145976022
Synonym(s):  
  •   chembl4203119
DrugBank:   - ChEMBL:   CHEMBL4203119
Canonical SMILES:   Cc1ccc(cc1)S(=O)(=O)N(CC(=O)OC)CC(=O)/C=C/C=C/CCCCCCCCCCN=[N+]=[N-]
Standard InChI:   InChI=1S/C26H38N4O5S/c1-23-16-18-25(19-17-23)36(33,34)30(22-26(32)35-2)21-24(31)15-13-11-9-7-5-3-4-6-8-10-12-14-20-28-29-27/h9,11,13,15-19H,3-8,10,12,14,20-22H2,1-2H3/b11-9+,15-13+
Molecular Formula:   C26H38N4O5S Mol. Weight:   518.2563 logP:   5.66142
HBD:   0 HBA:   6
#Rotatable Bonds:   19 TPSA:   129.51

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) 5WR1 8XO
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