BioLiP

PDB

BioLiP

PDB CCD ID:

W5M

Number of entries in BioLiP:

Chemical formula:

C6 H8 N6

InChI:

InChI=1S/C6H8N6/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3,(H4,7,8,10,11)

InChIKey:

NMJOZGVQPPGGFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cn2cnc1c(nc(N)nc12)N
CACTVS 3.385	Cn1cnc2c(N)nc(N)nc12
OpenEye OEToolkits 2.0.7	Cn1cnc2c1nc(nc2N)N

Name:

9-methyl-9H-purine-2,6-diamine

ChEMBL:

CHEMBL66076

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).