BioLiP

PDB

BioLiP

PDB CCD ID:

I82

Number of entries in BioLiP:

Chemical formula:

C12 H11 N5

InChI:

InChI=1S/C12H11N5/c1-13-12-11-10(14-7-15-12)9(16-17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15)

InChIKey:

XIEMFNUUOUPBSW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1ncnc2c([nH]nc12)c3ccccc3
OpenEye OEToolkits 2.0.7	CNc1c2c(c([nH]n2)c3ccccc3)ncn1

Name:

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

ChEMBL:

CHEMBL5205586

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).