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BioLiP

PDB CCD ID: ZUJ
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N2 O6 S
InChI: InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23)
InChIKey: VZWHIVSDDFPQBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1
CACTVS 3.385N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3CCC(=O)Oc3c2)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)COc2ccc3c(c2)OC(=O)CC3)S(=O)(=O)N
Name:2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide;
coumarin benzene sulfonamide SG1-51
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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