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BioLiP Library

PDB CCD ID: EG1
Number of entries in BioLiP: 1
Chemical formula: C15 H24 N4 O6 S
InChI: InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKey: OIKKGRHOXPAPMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCNC(=O)CN)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N
CACTVS 3.341NCC(=O)NCCOCCOCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
Name:AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE
ChEMBL: CHEMBL1160416
ZINC: ZINC000003871520
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)(download the PDF file).
  • 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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