BioLiP

PDB

BioLiP

PDB CCD ID:

A1I5V

Number of entries in BioLiP:

Chemical formula:

C6 H7 N5

InChI:

InChI=1S/C6H7N5/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H3,7,8,9,10,11)

InChIKey:

VQXHGXDVBHJJJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c2c(ncnc2[nH]n1)N
CACTVS 3.385	Cc1n[nH]c2ncnc(N)c12

Name:

3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-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).