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BioLiP

PDB CCD ID: Y9B
Number of entries in BioLiP: 1
Chemical formula: C15 H7 F4 N3 O2 S
InChI: InChI=1S/C15H7F4N3O2S/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)
InChIKey: UCKLLJALHASQDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1nsnc1C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F
Name:4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide
ChEMBL: CHEMBL4105330
ZINC: ZINC000584905754
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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