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BioLiP

PDB CCD ID: OYN
Number of entries in BioLiP: 4
Chemical formula: C6 H6 Cl N5
InChI: InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
InChIKey: RIAVUEFUPHOGJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1c2c([nH]cn2)nc(n1)Cl
CACTVS 3.385CNc1nc(Cl)nc2[nH]cnc12
Name:2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine
ChEMBL: CHEMBL446449
ZINC: ZINC000004429067
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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