SEQ2FUN

BioLiP

PDB CCD ID: R9Y
Number of entries in BioLiP: 4
Chemical formula: C11 H16 N2
InChI: InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
InChIKey: YWWOJPNCKNCDOR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CCCc2cc(CN)ccc12
OpenEye OEToolkits 2.0.6CN1CCCc2c1ccc(c2)CN
ACDLabs 12.01c12cc(ccc1N(CCC2)C)CN
Name:1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
ZINC: ZINC000004992594
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).