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BioLiP

PDB CCD ID: 2Q0
Number of entries in BioLiP: 2
Chemical formula: C14 H15 N O2 S2
InChI: InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-
InChIKey: GPURHDUTZUYAFI-GHXNOFRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S
OpenEye OEToolkits 2.0.7CC(C)CN1C(=O)C(=Cc2ccc(cc2)O)SC1=S
CACTVS 3.385CC(C)CN1C(=S)SC(=C/c2ccc(O)cc2)\C1=O
CACTVS 3.385CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O
Name:(5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
ZINC: ZINC000002707200
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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