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BioLiP

PDB CCD ID: 2CK
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N
InChI: InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
InChIKey: UWYZHKAOTLEWKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccc2c(c1)CNCC2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CCNC2
CACTVS 3.385C1Cc2ccccc2CN1
Name:1,2,3,4-tetrahydroisoquinoline
ChEMBL: CHEMBL14346
ZINC: ZINC000003860771
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).
  • 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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