SEQ2FUN

BioLiP

PDB CCD ID: DIN
Number of entries in BioLiP: 2
Chemical formula: C10 H8 O2
InChI: InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H
InChIKey: FZZQNEVOYIYFPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2cc(ccc2c(c1)O)O
CACTVS 3.341Oc1ccc2c(O)cccc2c1
ACDLabs 10.04Oc1cccc2c1ccc(O)c2
Name:1,6-DIHYDROXY NAPHTHALENE
ChEMBL: CHEMBL204394
DrugBank: DB07661
ZINC: ZINC000000388551
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).