BioLiP

PDB

BioLiP

PDB CCD ID:

JYK

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br N8

InChI:

InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12)

InChIKey:

LMIPSSRPSGTFEB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N

Name:

9-(2-azidoethyl)-8-bromanyl-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).