BioLiP

PDB

BioLiP

PDB CCD ID:

JYN

Number of entries in BioLiP:

Chemical formula:

C9 H12 N8

InChI:

InChI=1S/C9H12N8/c10-8-7-9(13-5-12-8)17(6-14-7)4-2-1-3-15-16-11/h5-6H,1-4H2,(H2,10,12,13)

InChIKey:

HVEKFLZTZQALAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N
CACTVS 3.385	Nc1ncnc2n(CCCCN=[N+]=[N-])cnc12

Name:

9-(4-azidobutyl)purin-6-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).