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BioLiP Library

PDB CCD ID: 97Q
Number of entries in BioLiP: 1
Chemical formula: C11 H5 F6 N O
InChI: InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
InChIKey: JIWHKBAFGFPZKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O
CACTVS 3.385Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
Name:2,8-bis(trifluoromethyl)quinolin-4-ol
ChEMBL: CHEMBL1312885
ZINC: ZINC000008830538
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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