BioLiP

PDB

BioLiP

PDB CCD ID:

A1AX7

Number of entries in BioLiP:

Chemical formula:

C7 H6 N4

InChI:

InChI=1S/C7H6N4/c1-2-9-7(5-8-1)6-3-10-11-4-6/h1-5H,(H,10,11)

InChIKey:

RJLTUYDPHVYZIR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cn1)c2c[nH]nc2
ACDLabs 12.01	c1cnc(cn1)c1c[NH]nc1
CACTVS 3.385	[nH]1cc(cn1)c2cnccn2

Name:

(2P)-2-(1H-pyrazol-4-yl)pyrazine

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).