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BioLiP

PDB CCD ID: 3O1
Number of entries in BioLiP: 1
Chemical formula: C15 H24 N2 O5 S
InChI: InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKey: ULDQAZFJSXNRJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1ccc(OCCCCNC(=O)OC(C)(C)C)cc1
CACTVS 3.385CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.6CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N
Name:tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate;
tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate
ChEMBL: CHEMBL3359166
ZINC: ZINC000215713355
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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