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BioLiP

PDB CCD ID: QPZ
Number of entries in BioLiP: 2
Chemical formula: C18 H18 N2 O3 S
InChI: InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3
InChIKey: KBXRBUMRPUNHEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
OpenEye OEToolkits 2.0.7CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C
Name:1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide
ZINC: ZINC000004742974
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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