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BioLiP

PDB CCD ID: F6W
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O2 S2
InChI: InChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
InChIKey: BIDLYFNXVUUEMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(SCCc2ccccc2)cc1
Name:4-(2-phenylethylsulfanyl)benzenesulfonamide
ChEMBL: CHEMBL2333401
ZINC: ZINC000095590921
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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