BioLiP

PDB

BioLiP

PDB CCD ID:

XZE

Number of entries in BioLiP:

Chemical formula:

C15 H10 N2 O

InChI:

InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H

InChIKey:

NCTFUSHEDTZFOU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(c1ccccn1)c2ccc3ccccc3n2
ACDLabs 12.01	O=C(c1ccc2ccccc2n1)c1ccccn1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ccc(n2)C(=O)c3ccccn3

Name:

(pyridin-2-yl)(quinolin-2-yl)methanone

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).