SEQ2FUN

BioLiP

PDB CCD ID: 8GK
Number of entries in BioLiP: 7
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
InChIKey: JRZGPWOEHDOVMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1cccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2C(=O)NO
Name:~{N}-oxidanylnaphthalene-1-carboxamide
ChEMBL: CHEMBL115468
ZINC: ZINC000004706544
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).