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BioLiP

PDB CCD ID: 36O
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N5
InChI: InChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16)
InChIKey: YEWYVRQMZKOENB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1[nH]c2c(n1)c(ncn2)NC3CCCCC3
CACTVS 3.385C1CCC(CC1)Nc2ncnc3[nH]cnc23
ACDLabs 12.01n2c1c(ncn1)c(nc2)NC3CCCCC3
Name:N-cyclohexyl-9H-purin-6-amine
ChEMBL: CHEMBL1500217
ZINC: ZINC000000213818
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)(download the PDF file).
  • 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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