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BioLiP

PDB CCD ID: 0U7
Number of entries in BioLiP: 2
Chemical formula: C14 H7 Cl2 F N2 O3 S
InChI: InChI=1S/C14H7Cl2FN2O3S/c15-10-4-9(5-11(16)7-10)14-19-18-13(22-14)8-2-1-3-12(6-8)23(17,20)21/h1-7H
InChIKey: XFQASTJKVRWJHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370F[S](=O)(=O)c1cccc(c1)c2oc(nn2)c3cc(Cl)cc(Cl)c3
OpenEye OEToolkits 1.7.6c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl
ACDLabs 12.01FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)cc(Cl)c2)c3
Name:3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
ZINC: ZINC000098207871
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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