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BioLiP

PDB CCD ID: KLJ
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O5 S
InChI: InChI=1S/C11H16N2O5S/c1-18-10-4-2-9(3-5-10)6-7-19(16,17)12-8-11(14)13-15/h2-5,12,15H,6-8H2,1H3,(H,13,14)
InChIKey: LMKSZZKXCRCXFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO
CACTVS 3.370COc1ccc(CC[S](=O)(=O)NCC(=O)NO)cc1
ACDLabs 12.01O=C(NO)CNS(=O)(=O)CCc1ccc(OC)cc1
Name:N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide
ChEMBL: CHEMBL2385482
ZINC: ZINC000095921326
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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