BioLiP

PDB

BioLiP

PDB CCD ID:

OYT

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5

InChI:

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

InChIKey:

GSKXLJNKAAXSOE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNc1ncnc2n(cnc12)C3CC3
OpenEye OEToolkits 2.0.7	CNc1c2c(ncn1)n(cn2)C3CC3

Name:

9-cyclopropyl-~{N}-methyl-purin-6-amine

ChEMBL:

CHEMBL5170722

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).