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BioLiP

PDB CCD ID: U5Z
Number of entries in BioLiP: 2
Chemical formula: C7 H8 F N3 S
InChI: InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKey: KQNHAXWTVPXGMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=S)NNc1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1NNC(=S)N)F
Name:1-[(4-fluorophenyl)amino]thiourea
ZINC: ZINC000000069512
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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