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BioLiP

PDB CCD ID: 8P4
Number of entries in BioLiP: 2
Chemical formula: C7 H7 F N2 S
InChI: InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey: BRWKXKNZRVALNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=S)Nc1ccc(F)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1NC(=S)N)F
Name:1-(4-fluorophenyl)thiourea
ZINC: ZINC000000064840
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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