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BioLiP Library

PDB CCD ID: 4WU
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2
InChI: InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2
InChIKey: GIIQUGGTGRRQEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)CNCC2
CACTVS 3.385Nc1cccc2CCNCc12
ACDLabs 12.01C1CNCc2c1cccc2N
Name:1,2,3,4-tetrahydroisoquinolin-8-amine
ZINC: ZINC000024624354
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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