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BioLiP

PDB CCD ID: 4X3
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2
InChI: InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3
InChIKey: BQEJAFIVZNAXGW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN1CCc2c(N)cccc2C1
ACDLabs 12.01C1N(Cc2c(C1)c(N)ccc2)CC
OpenEye OEToolkits 1.9.2CCN1CCc2c(cccc2N)C1
Name:2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
ZINC: ZINC000038032531
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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