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BioLiP

PDB CCD ID: 5FZ
Number of entries in BioLiP: 1
Chemical formula: C17 H18 N2 O5 S
InChI: InChI=1S/C17H18N2O5S/c1-4-14-13-9-15(17(23-3)10-16(13)24-18-14)19-25(20,21)12-7-5-11(22-2)6-8-12/h5-10,19H,4H2,1-3H3
InChIKey: QDPZIJXJBVSBJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccc(cc3)OC
CACTVS 3.385CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccc(OC)cc3)cc12
Name:~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide
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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