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BioLiP

PDB CCD ID: M02
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N6
InChI: InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)
InChIKey: HPTRRFNSSSRNEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1CCN(CC1)c2ncnc3[nH]cnc23
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N
ACDLabs 10.04n2cnc1c(ncn1)c2N3CCC(N)CC3
Name:1-(9H-purin-6-yl)piperidin-4-amine
ChEMBL: CHEMBL261260
ZINC: ZINC000016052626
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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