BioLiP

PDB

BioLiP

PDB CCD ID:

W7S

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O

InChI:

InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)

InChIKey:

LCEYIUAAVRLLIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(NCc1ccccc1)c2cnccn2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNC(=O)c2cnccn2
ACDLabs 12.01	c2c(CNC(c1cnccn1)=O)cccc2

Name:

N-benzylpyrazine-2-carboxamide

ZINC:

ZINC000000311783

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).