SEQ2FUN

BioLiP

PDB CCD ID: VYZ
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O3
InChI: InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey: NQRLPDFELNCFHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(cc1)[N](=O)=O
ACDLabs 12.01O=C(C)Nc1ccc(cc1)N(=O)=O
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)N(=O)=O
Name:N-(4-nitrophenyl)acetamide
ChEMBL: CHEMBL131469
ZINC: ZINC000016321384
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).