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BioLiP

PDB CCD ID: 0LO
Number of entries in BioLiP: 3
Chemical formula: C12 H9 N O2
InChI: InChI=1S/C12H9NO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKey: VKFXHYRIHRTEIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2cc(c1ccccc1)cnc2
CACTVS 3.370OC(=O)c1cncc(c1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cc(cnc2)C(=O)O
Name:5-phenylpyridine-3-carboxylic acid
ChEMBL: CHEMBL3617324
ZINC: ZINC000000159004
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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