SEQ2FUN

BioLiP

PDB CCD ID: 5TT
Number of entries in BioLiP: 2
Chemical formula: C13 H20 N2
InChI: InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKey: ABHBNGLDUNAXSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CNCc1ccc(cc1)N2CCCCC2
Name:~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
ChEMBL: CHEMBL4096606
ZINC: ZINC000003880952
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).