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BioLiP

PDB CCD ID: LV4
Number of entries in BioLiP: 12
Chemical formula: C8 H7 F3 N2 O S
InChI: InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKey: HYKOSRYWIURWQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=S)Nc1ccccc1OC(F)(F)F
OpenEye OEToolkits 2.0.6c1ccc(c(c1)NC(=S)N)OC(F)(F)F
Name:1-[2-(trifluoromethyloxy)phenyl]thiourea
ZINC: ZINC000000102765
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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