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BioLiP

PDB CCD ID: 7R7
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O4 S
InChI: InChI=1S/C11H11NO4S/c1-14-6-3-4-7(8(5-6)15-2)9-10(13)12-11(17)16-9/h3-5,9H,1-2H3,(H,12,13,17)/t9-/m1/s1
InChIKey: OLPJWIMQEIBDQP-SECBINFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc([C@H]2OC(=S)NC2=O)c(OC)c1
OpenEye OEToolkits 2.0.6COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2
ACDLabs 12.01c2c(C1C(NC(O1)=S)=O)c(cc(c2)OC)OC
OpenEye OEToolkits 2.0.6COc1ccc(c(c1)OC)C2C(=O)NC(=S)O2
CACTVS 3.385COc1ccc([CH]2OC(=S)NC2=O)c(OC)c1
Name:(5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
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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