SEQ2FUN

BioLiP

PDB CCD ID: DNA
Number of entries in BioLiP: 18
Chemical formula: C11 H8 O4
InChI: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(cc(c2O)C(=O)O)O
CACTVS 3.352OC(=O)c1cc(O)c2ccccc2c1O
ACDLabs 11.02O=C(O)c2cc(O)c1ccccc1c2O
Name:1,4-dihydroxy-2-naphthoic acid;
1,4-dihydroxynaphthalene-2-carboxylic acid
ChEMBL: CHEMBL1232286
ZINC: ZINC000000409255
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).