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BioLiP Library

PDB CCD ID: FQV
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N O2 S Se
InChI: InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
InChIKey: SYXVSYLKIVCGJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O
CACTVS 3.385CC#CC[Se]c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.6CC#CC[Se]c1ccc(cc1)S(=O)(=O)N
Name:4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
ChEMBL: CHEMBL4161324
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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