SEQ2FUN

BioLiP

PDB CCD ID: D48
Number of entries in BioLiP: 13
Chemical formula: C10 H8 O2
InChI: InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
InChIKey: JRNGUTKWMSBIBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc2ccccc2cc1O
OpenEye OEToolkits 2.0.6c1ccc2cc(c(cc2c1)O)O
Name:naphthalene-2,3-diol
ChEMBL: CHEMBL205007
ZINC: ZINC000000388553
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).