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BioLiP

PDB CCD ID: IL3
Number of entries in BioLiP: 2
Chemical formula: C11 H14 N2 O3 S
InChI: InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15)
InChIKey: YCDIYRUTYILYGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC#CCOc1ccc(CN[S](N)(=O)=O)cc1
OpenEye OEToolkits 1.7.6CC#CCOc1ccc(cc1)CNS(=O)(=O)N
Name:1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene
ZINC: ZINC000213030024
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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