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BioLiP

PDB CCD ID: 6GU
Number of entries in BioLiP: 8
Chemical formula: C5 H4 Cl N5
InChI: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2nc(nc1c2ncn1)N
CACTVS 3.341Nc1nc(Cl)c2nc[nH]c2n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)Cl
Name:6-chloroguanine;
6-chloro-9H-purin-2-amine
ChEMBL: CHEMBL226396
ZINC: ZINC000006523923
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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