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BioLiP

PDB CCD ID: U39
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N2 O4 S
InChI: InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
InChIKey: RCSLEKLNDJJJLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1ccccc1NC(=O)c2ccccc2NS(=O)(=O)C3CC3
CACTVS 3.385CCOc1ccccc1NC(=O)c2ccccc2N[S](=O)(=O)C3CC3
ACDLabs 12.01O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1
Name:2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
ChEMBL: CHEMBL5177388
ZINC: ZINC000206701523
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)(download the PDF file).
  • 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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