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BioLiP

PDB CCD ID: Q92
Number of entries in BioLiP: 4
Chemical formula: C16 H11 N O2
InChI: InChI=1S/C16H11NO2/c18-16(19)14-4-1-3-11(10-14)12-6-7-15-13(9-12)5-2-8-17-15/h1-10H,(H,18,19)
InChIKey: NVUDTXCAUAPCDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3
CACTVS 3.385OC(=O)c1cccc(c1)c2ccc3ncccc3c2
Name:3-quinolin-6-ylbenzoic acid
ChEMBL: CHEMBL4166544
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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