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BioLiP

PDB CCD ID: M1A
Number of entries in BioLiP: 2
Chemical formula: C6 H8 N5
InChI: InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)/p+1
InChIKey: DYGBIJOMQSXREB-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[n+]1cnc2c(c1N)nc[nH]2
ACDLabs 10.04n1c[n+](c(c2ncnc12)N)C
CACTVS 3.341C[n+]1cnc2[nH]cnc2c1N
Name:6-AMINO-1-METHYLPURINE
DrugBank: DB03164
ZINC: ZINC000012503143
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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