SEQ2FUN

BioLiP

PDB CCD ID: D1N
Number of entries in BioLiP: 1
Chemical formula: C10 H8 O2
InChI: InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
InChIKey: NXPPAOGUKPJVDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc2ccccc2c1O
ACDLabs 10.04Oc1c2c(ccc1O)cccc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ccc(c2O)O
Name:NAPHTHALENE-1,2-DIOL;
1,2-DIHYDROXYNAPHTHALENE
ChEMBL: CHEMBL204543
DrugBank: DB07610
ZINC: ZINC000000407059
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).