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BioLiP Library

PDB CCD ID: 4XG
Number of entries in BioLiP: 1
Chemical formula: C14 H23 N3
InChI: InChI=1S/C14H23N3/c1-16(2)8-4-9-17-10-7-12-5-3-6-14(15)13(12)11-17/h3,5-6H,4,7-11,15H2,1-2H3
InChIKey: HWRKGGXCPROGGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)CCCN1CCc2cccc(N)c2C1
OpenEye OEToolkits 1.9.2CN(C)CCCN1CCc2cccc(c2C1)N
ACDLabs 12.01C1N(Cc2c(C1)cccc2N)CCCN(C)C
Name:2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
ZINC: ZINC000310029372
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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