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BioLiP

PDB CCD ID: C97
Number of entries in BioLiP: 1
Chemical formula: C15 H19 N3 O4 S
InChI: InChI=1S/C15H19N3O4S/c16-10-15(19)18(11-13-2-1-9-22-13)8-7-12-3-5-14(6-4-12)23(17,20)21/h1-6,9H,7-8,10-11,16H2,(H2,17,20,21)
InChIKey: FUWNKEOJTVZTMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCC(=O)N(CCc1ccc(cc1)[S](N)(=O)=O)Cc2occc2
ACDLabs 12.01NS(=O)(=O)c1ccc(CCN(Cc2ccco2)C(=O)CN)cc1
OpenEye OEToolkits 2.0.7c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN
Name:N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
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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