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BioLiP

PDB CCD ID: OYT
Number of entries in BioLiP: 4
Chemical formula: C9 H11 N5
InChI: InChI=1S/C9H11N5/c1-10-8-7-9(12-4-11-8)14(5-13-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,12)
InChIKey: GSKXLJNKAAXSOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ncnc2n(cnc12)C3CC3
OpenEye OEToolkits 2.0.7CNc1c2c(ncn1)n(cn2)C3CC3
Name:9-cyclopropyl-~{N}-methyl-purin-6-amine
ChEMBL: CHEMBL5170722
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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