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BioLiP

PDB CCD ID: M1H
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2
InChI: InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12)
InChIKey: KZFXOHUERSGRGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1ccnc2c1CCCC2
CACTVS 3.385CNc1ccnc2CCCCc12
Name:~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
ZINC: ZINC000221030809
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)(download the PDF file).
  • 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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