SEQ2FUN

BioLiP

PDB CCD ID: QCV
Number of entries in BioLiP: 4
Chemical formula: C7 H6 N2 O2
InChI: InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2
InChIKey: HXHIWKCPLNZQQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C=Nc1ccc(cc1)[N](=O)=O
OpenEye OEToolkits 2.0.7C=Nc1ccc(cc1)N(=O)=O
ACDLabs 12.01C=N\c1ccc(cc1)N(=O)=O
Name:N-(4-nitrophenyl)methanimine
ChEMBL: CHEMBL1967488
ZINC: ZINC000004783136
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).