SEQ2FUN

BioLiP

PDB CCD ID: NDD
Number of entries in BioLiP: 1
Chemical formula: C12 H8 O4
InChI: InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChIKey: RXOHFPCZGPKIRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)c1ccc2c(c1)ccc(C(=O)O)c2
CACTVS 3.341OC(=O)c1ccc2cc(ccc2c1)C(O)=O
Name:2,6-DICARBOXYNAPHTHALENE
ChEMBL: CHEMBL1205452
DrugBank: DB08262
ZINC: ZINC000000156288
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).