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BioLiP

PDB CCD ID: 42C
Number of entries in BioLiP: 14
Chemical formula: C7 H9 N5
InChI: InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
InChIKey: BVIAOQMSVZHOJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(c2c(nc1)ncn2)N(C)C
OpenEye OEToolkits 1.5.0CN(C)c1c2c(nc[nH]2)ncn1
CACTVS 3.341CN(C)c1ncnc2nc[nH]c12
Name:N,N-dimethyl-7H-purin-6-amine
ChEMBL: CHEMBL407391
ZINC: ZINC000013516321
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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