BioLiP

PDB

BioLiP

PDB CCD ID:

JXB

Number of entries in BioLiP:

Chemical formula:

C9 H11 Br N8

InChI:

InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14)

InChIKey:

UOIUSKVGBLVETF-UHFFFAOYSA-N

SMILES:

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

Name:

9-(4-azidobutyl)-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).