SEQ2FUN

BioLiP

PDB CCD ID: OJ4
Number of entries in BioLiP: 3
Chemical formula: C18 H24 N2 O8 S2 Te
InChI: InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+
InChIKey: JUPGTZUCOQORPY-OKILXGFUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(OC[CH](O)C[Te]C[CH](O)COc2ccc(cc2)[S](N)(=O)=O)cc1
ACDLabs 12.01c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc(OC[C@H](O)C[Te]C[C@H](O)COc2ccc(cc2)[S](N)(=O)=O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N
Name:4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).