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BioLiP

PDB CCD ID: NHK
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O6 S
InChI: InChI=1S/C11H16N2O6S/c1-19-9-2-4-10(5-3-9)20(17,18)13(6-7-14)8-11(15)12-16/h2-5,14,16H,6-8H2,1H3,(H,12,15)
InChIKey: IVGHGMHNUBCTDC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N(CC(=O)NO)CCO)c1ccc(OC)cc1
OpenEye OEToolkits 1.7.0COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO
CACTVS 3.370COc1ccc(cc1)[S](=O)(=O)N(CCO)CC(=O)NO
Name:N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
ChEMBL: CHEMBL1234724
ZINC: ZINC000058650403
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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