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BioLiP Library

PDB CCD ID: 5F3
Number of entries in BioLiP: 4
Chemical formula: C17 H12 N2 O2
InChI: InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
InChIKey: NNTKTJCJOPINGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(=O)(O)c2cc(c1ccncc1)cc(c2)c3ccncc3
OpenEye OEToolkits 1.9.2c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3
CACTVS 3.385OC(=O)c1cc(cc(c1)c2ccncc2)c3ccncc3
Name:3,5-di(pyridin-4-yl)benzoic acid
ChEMBL: CHEMBL3910343
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)(download the PDF file).
  • 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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