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BioLiP

PDB CCD ID: SKA
Number of entries in BioLiP: 2
Chemical formula: C9 H9 Cl2 N
InChI: InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
InChIKey: WFPUBEDBBOGGIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Clc1ccc2CCNCc2c1Cl
ACDLabs 10.04Clc1c(Cl)ccc2c1CNCC2
OpenEye OEToolkits 1.5.0c1cc(c(c2c1CCNC2)Cl)Cl
Name:7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE;
SK&F 64139
ChEMBL: CHEMBL287837
DrugBank: DB08550
ZINC: ZINC000024714117
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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