BioLiP

PDB

BioLiP

PDB CCD ID:

WUT

Number of entries in BioLiP:

Chemical formula:

C5 H4 N4

InChI:

InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)

InChIKey:

KDCGOANMDULRCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c([nH]cn2)ncn1
CACTVS 3.385	[nH]1cnc2cncnc12

Name:

9~{H}-purine

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).