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BioLiP

PDB CCD ID: KLG
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O4 S
InChI: InChI=1S/C10H14N2O4S/c13-10(12-14)8-11-17(15,16)7-6-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)
InChIKey: CWDYQHCEZVYJNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO
CACTVS 3.370ONC(=O)CN[S](=O)(=O)CCc1ccccc1
ACDLabs 12.01O=C(NO)CNS(=O)(=O)CCc1ccccc1
Name:N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide
ChEMBL: CHEMBL2385480
ZINC: ZINC000095920859
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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