SEQ2FUN

BioLiP

PDB CCD ID: BPN
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N O3
InChI: InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
InChIKey: JKTYGPATCNUWKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CO)[N+](=O)[O-]
ACDLabs 10.04[O-][N+](=O)c1ccc(cc1)CO
CACTVS 3.341OCc1ccc(cc1)[N+]([O-])=O
Name:PARANITROBENZYL ALCOHOL
ChEMBL: CHEMBL153580
ZINC: ZINC000000157462
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).