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BioLiP

PDB CCD ID: 4WT
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N
InChI: InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
InChIKey: QOWZBQAJZICMKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1(CNCc2c1cccc2)C
CACTVS 3.385CC1(C)CNCc2ccccc12
ACDLabs 12.01C2NCc1ccccc1C2(C)C
Name:4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
ZINC: ZINC000019789204
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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