BioLiP

PDB

BioLiP

PDB CCD ID:

IHR

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5

InChI:

InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)

InChIKey:

CTRMXAARLMLINT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c2c(c(ncn2)NC3CC3)n[nH]1
CACTVS 3.385	Cc1[nH]nc2c(NC3CC3)ncnc12

Name:

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

ChEMBL:

CHEMBL5208578

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).