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BioLiP

PDB CCD ID: 2TU
Number of entries in BioLiP: 3
Chemical formula: C9 H12 N2 O5 S
InChI: InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1
InChIKey: GJTBSTBJLVYKAU-XVFCMESISA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=S
CACTVS 3.370OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=S
OpenEye OEToolkits 1.7.2C1=CN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O
OpenEye OEToolkits 1.7.2C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 12.01O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO
Name:1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;
2-thiouridine
ZINC: ZINC000004501448
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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