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BioLiP

PDB CCD ID: 6MP
Number of entries in BioLiP: 7
Chemical formula: C6 H6 N4
InChI: InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKey: SYMHUEFSSMBHJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1ncnc2nc[nH]c12
OpenEye OEToolkits 1.5.0Cc1c2c(nc[nH]2)ncn1
ACDLabs 10.04n1c(c2c(nc1)ncn2)C
Name:6-METHYLPURINE
ChEMBL: CHEMBL293405
DrugBank: DB02113
ZINC: ZINC000014593164
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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