SEQ2FUN

BioLiP

PDB CCD ID: M01
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N6
InChI: InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16)
InChIKey: ZUPAKXAQBFFNRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCC1CCN(CC1)c2ncnc3[nH]cnc23
ACDLabs 10.04n2cnc1c(ncn1)c2N3CCC(CC3)CN
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN
Name:1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine
ChEMBL: CHEMBL259356
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).