BioLiP

PDB

BioLiP

PDB CCD ID:

L30

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	O=C(Nc1cccc2ccccc12)c3cccnc3
ACDLabs 12.01	O=C(Nc1cccc2ccccc21)c1cccnc1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2NC(=O)c3cccnc3

Name:

N-(naphthalen-1-yl)pyridine-3-carboxamide

ZINC:

ZINC000003157529

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).