SEQ2FUN

BioLiP

PDB CCD ID: ADZ
Number of entries in BioLiP: 6
Chemical formula: C6 H7 N5
InChI: InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
InChIKey: WRXCXOUDSPTXNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cn1cnc2c(N)ncnc12
OpenEye OEToolkits 1.5.0Cn1cnc2c1ncnc2N
ACDLabs 10.04n1c(c2ncn(c2nc1)C)N
Name:9-METHYL-9H-PURIN-6-AMINE
ChEMBL: CHEMBL65976
ZINC: ZINC000000330548
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).