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):  
  •   4-nitro-cinnamylidenepyruvate
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
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