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BioLiP

PDB CCD ID: WWS
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl N6
InChI: InChI=1S/C11H9ClN6/c12-7-1-2-8(14-3-7)4-18-6-17-10(13)9-11(18)16-5-15-9/h1-3,5-6H,4,13H2
InChIKey: RILIKBFMMNNYNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ncc1Cl)Cn2cnc(c-3ncnc23)N
CACTVS 3.385Nc1ncn(Cc2ccc(Cl)cn2)c3ncnc13
ACDLabs 12.01c1(ncc(cc1)Cl)CN3C=NC(=C2N=CN=C23)N
Name:3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine
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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