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BioLiP

PDB CCD ID: BS0
Number of entries in BioLiP: 3
Chemical formula: C19 H16 N2 O2 S
InChI: InChI=1S/C19H16N2O2S/c22-18-9-7-13-10-14(6-8-16(13)20-18)17-12-24-19(21-17)11-23-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11H2,(H,20,22)
InChIKey: QXHYTMRDSBLWLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1CCc2cc(ccc2N1)c3csc(COc4ccccc4)n3
OpenEye OEToolkits 2.0.6c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4
Name:6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
ZINC: ZINC000008042381
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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