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BioLiP

PDB CCD ID: L30
Number of entries in BioLiP: 2
Chemical formula: C16 H12 N2 O
InChI: InChI=1S/C16H12N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)
InChIKey: OZOFJVFWGZHBHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1cccc2ccccc12)c3cccnc3
ACDLabs 12.01O=C(Nc1cccc2ccccc21)c1cccnc1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2NC(=O)c3cccnc3
Name:N-(naphthalen-1-yl)pyridine-3-carboxamide
ZINC: ZINC000003157529
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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