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BioLiP

PDB CCD ID: 9MG
Number of entries in BioLiP: 19
Chemical formula: C6 H7 N5 O
InChI: InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKey: UUWJNBOCAPUTBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cn1cnc2c1nc(nc2O)N
CACTVS 3.341Cn1cnc2c(O)nc(N)nc12
ACDLabs 10.04n2c1c(ncn1C)c(nc2N)O
Name:9-METHYLGUANINE
ChEMBL: CHEMBL1230674
DrugBank: DB02489
ZINC: ZINC000000039178
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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