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BioLiP

PDB CCD ID: EZ1
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O2 S Se
InChI: InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
InChIKey: KMBXWUNECGFGKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C=CC[Se]c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O
CACTVS 3.385N[S](=O)(=O)c1ccc([Se]CC=C)cc1
Name:4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
ChEMBL: CHEMBL4164747
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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