BioLiP

PDB

BioLiP

PDB CCD ID:

A1I20

Number of entries in BioLiP:

Chemical formula:

C9 H10 N4

InChI:

InChI=1S/C9H10N4/c10-9-3-6-12-13(9)7-8-1-4-11-5-2-8/h1-6H,7,10H2

InChIKey:

LSXHCDYKHFLGAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnccc1Cn2c(ccn2)N
CACTVS 3.385	Nc1ccnn1Cc2ccncc2

Name:

2-(pyridin-4-ylmethyl)pyrazol-3-amine

ChEMBL:

CHEMBL1487076

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).