SEQ2FUN

BioLiP

PDB CCD ID: OE3
Number of entries in BioLiP: 2
Chemical formula: C19 H20 N2 O3 S
InChI: InChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3
InChIKey: ZRTFSGAREQNMFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12
OpenEye OEToolkits 3.1.0.0CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3
Name:~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide
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).