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BioLiP

PDB CCD ID: YC5
Number of entries in BioLiP: 1
Chemical formula: C6 H6 F N S
InChI: InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey: MAOWDGRYXPTHRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1S)F)N
CACTVS 3.385Nc1ccc(S)cc1F
Name:4-azanyl-3-fluoranyl-benzenethiol
ZINC: ZINC000020247140
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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