Ligand |
||
Ligand Name: (3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB984 | PubChem: 138857406 | |
Synonym(s):
|
||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: OC(=O)C(=O)\C=C\C=C\c1ccc(cc1)[N+]([O-])=O | ||
Standard InChI: InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+ | ||
Molecular Formula: C12H9NO5 | Mol. Weight: 247.04807 | logP: 1.8179 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 5 | TPSA: 97.51 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Acetoacetate decarboxylase | D7C0E5 (D7C0E5_STRBB) | Streptomyces bingchenggensis (strain BCW-1) | 6EEJ | J6S |
- |
- |
SHOW |