SEQ2FUN

BioLiP

PDB CCD ID: 59Y
Number of entries in BioLiP: 1
Chemical formula: C20 H13 N O2
InChI: InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23)
InChIKey: QMAYJELNBDAEMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O
CACTVS 3.385OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1
ACDLabs 12.01c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4
Name:8-(naphthalen-1-yl)quinoline-2-carboxylic acid
ZINC: ZINC000118077065
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).