SEQ2FUN

BioLiP

PDB CCD ID: 7WO
Number of entries in BioLiP: 3
Chemical formula: C11 H8 O2
InChI: InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKey: NTCCNERMXRIPTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ccc(c2C=O)O
ACDLabs 12.01c2ccc1c(C=O)c(ccc1c2)O
CACTVS 3.385Oc1ccc2ccccc2c1C=O
Name:2-hydroxynaphthalene-1-carbaldehyde
ChEMBL: CHEMBL3265255
ZINC: ZINC000000157162
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).