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BioLiP

PDB CCD ID: 10B
Number of entries in BioLiP: 5
Chemical formula: C17 H20 N2 O5 S
InChI: InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
InChIKey: PHGLPDURIUEELR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2
CACTVS 3.370CC(C)ON(CC(=O)NO)[S](=O)(=O)c1ccc(cc1)c2ccccc2
ACDLabs 12.01O=S(=O)(N(OC(C)C)CC(=O)NO)c2ccc(c1ccccc1)cc2
Name:N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid;
N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide
ChEMBL: CHEMBL181244
ZINC: ZINC000003818628
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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