BioLiP

PDB

BioLiP

PDB CCD ID:

A1I8G

Number of entries in BioLiP:

Chemical formula:

C8 H8 N4

InChI:

InChI=1S/C8H8N4/c9-8-5-6(1-3-10-8)7-2-4-11-12-7/h1-5H,(H2,9,10)(H,11,12)

InChIKey:

WYWGOKSCOJBUHQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(ccn1)c2cc[nH]n2
OpenEye OEToolkits 2.0.7	c1c[nH]nc1c2ccnc(c2)N

Name:

4-(1~{H}-pyrazol-3-yl)pyridin-2-amine

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).