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BioLiP Library

PDB CCD ID: 6XR
Number of entries in BioLiP: 4
Chemical formula: C13 H10 N2 O3 S2
InChI: InChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1
InChIKey: XVWLTTDUJXRGEJ-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(c(c1)c2nc(cs2)C3=NC(CS3)C(=O)O)O
CACTVS 3.385OC(=O)[C@@H]1CSC(=N1)c2csc(n2)c3ccccc3O
OpenEye OEToolkits 2.0.5c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O
CACTVS 3.385OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O
Name:(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
ZINC: ZINC000036422191
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)(download the PDF file).
  • 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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