Ligand
Ligand Name:   3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1154 PubChem:   6006216
Synonym(s):  
  •   schembl21068041
  • 3-{5-[(1z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid
  • db08302
  • q27097523
show 3 synonym(s)
DrugBank:   DB08302 ChEMBL:   CHEMBL1234823
Canonical SMILES:   CCC\C(=C\c1ccc(o1)-c1cccc(c1)C(O)=O)[N+]([O-])=O
Standard InChI:   InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10-
Molecular Formula:   C16H15NO5 Mol. Weight:   301.09503 logP:   4.0625
HBD:   1 HBA:   4
#Rotatable Bonds:   6 TPSA:   93.58

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) 3ADX NRO
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Peroxisome proliferator-activated receptor gamma P37231 (PPARG_HUMAN) Homo sapiens (Human) 2ZK5 NRO
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