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BioLiP

PDB CCD ID: WV7
Number of entries in BioLiP: 2
Chemical formula: C11 H10 F3 N O2
InChI: InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2
InChIKey: QNFSENFVEFYGPS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)N2Cc1c(cc(O)cc1)CC2
CACTVS 3.370Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F
Name:2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
ChEMBL: CHEMBL1213617
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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