SEQ2FUN

BioLiP

PDB CCD ID: K4V
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O4
InChI: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
InChIKey: QAUUDNIGJSLPSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Oc1ccc(cc1)[N+](=O)[O-]
CACTVS 3.385CC(=O)Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 12.01c1(ccc(OC(=O)C)cc1)[N+]([O-])=O
Name:4-nitrophenyl acetate;
P-NITROPHENYL ACETATE
ChEMBL: CHEMBL40988
ZINC: ZINC000001641045
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).