BioLiP

PDB

BioLiP

PDB CCD ID:

JV3

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O2

InChI:

InChI=1S/C13H11NO2/c1-16-13(15)12-4-2-3-11(9-12)10-5-7-14-8-6-10/h2-9H,1H3

InChIKey:

OURDGCXMAZZEBC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)c1cccc(c1)c2ccncc2

Name:

methyl 3-pyridin-4-ylbenzoate

ZINC:

ZINC000016946089

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).