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BioLiP

PDB CCD ID: NDM
Number of entries in BioLiP: 1
Chemical formula: C7 H14 N5 O
InChI: InChI=1S/C7H14N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3,6-7,9-10,13H,8H2,1-2H3/q+1/t6-,7+/m0/s1
InChIKey: UCYXILDOFXGENE-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OC2c1[n+](cn(c1NC(N)N2)C)C
CACTVS 3.341Cn1c[n+](C)c2[CH](O)N[CH](N)Nc12
CACTVS 3.341Cn1c[n+](C)c2[C@H](O)N[C@H](N)Nc12
OpenEye OEToolkits 1.5.0Cn1c[n+](c2c1NC(NC2O)N)C
Name:7,9-DIMETHYLGUANINE
DrugBank: DB01978
ZINC: ZINC000095921273
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)(download the PDF file).
  • 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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