SEQ2FUN

BioLiP

PDB CCD ID: A1A3X
Number of entries in BioLiP: 1
Chemical formula: C8 H18 N2
InChI: InChI=1S/C8H18N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKey: DBSDZVMWEMKFCH-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC1CCCCN1CCN
OpenEye OEToolkits 3.1.0.0C[C@@H]1CCCCN1CCN
CACTVS 3.385C[C@H]1CCCCN1CCN
CACTVS 3.385C[CH]1CCCCN1CCN
ACDLabs 14.52NCCN1CCCCC1C
Name:2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine
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).