BioLiP

PDB

BioLiP

PDB CCD ID:

IFZ

Number of entries in BioLiP:

Chemical formula:

C6 H6 Br N5

InChI:

InChI=1S/C6H6BrN5/c1-8-6-4-3(9-2-10-6)5(7)12-11-4/h2H,1H3,(H,11,12)(H,8,9,10)

InChIKey:

AOVWLHFPQGGIAW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1ncnc2c(Br)[nH]nc12
OpenEye OEToolkits 2.0.7	CNc1c2c(c([nH]n2)Br)ncn1

Name:

3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

ChEMBL:

CHEMBL5192389

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).