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BioLiP

PDB CCD ID: 8G8
Number of entries in BioLiP: 1
Chemical formula: C6 H5 Cl N4
InChI: InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3
InChIKey: AMVDDOZWEOPXRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cnc2cnc(Cl)nc12
OpenEye OEToolkits 2.0.6Cn1cnc2c1nc(nc2)Cl
Name:2-chloranyl-9-methyl-purine
ZINC: ZINC000004243259
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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