BioLiP

PDB

BioLiP

PDB CCD ID:

3MA

Number of entries in BioLiP:

Chemical formula:

C6 H8 N5

InChI:

InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1

InChIKey:

YLIQVEPMZVVUEK-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 10.04	n2c[n+](c1c(ncn1)c2N)C
CACTVS 3.341	C[n+]1cnc(N)c2nc[nH]c12
OpenEye OEToolkits 1.5.0	C[n+]1cnc(c2c1[nH]cn2)N

Name:

6-AMINO-3-METHYLPURINE

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).