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BioLiP

PDB CCD ID: 4FH
Number of entries in BioLiP: 1
Chemical formula: C6 H4 F3 N O S
InChI: InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-10(11)5(12)3-4/h1-3,11H
InChIKey: LFJNCYOAHJYDNR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=CN(C(=S)C=C1C(F)(F)F)O
CACTVS 3.385ON1C=CC(=CC1=S)C(F)(F)F
ACDLabs 12.01S=C1C=C(C=CN1O)C(F)(F)F
Name:1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione
ChEMBL: CHEMBL3326435
ZINC: ZINC000139648072
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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