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BioLiP

PDB CCD ID: EDU
Number of entries in BioLiP: 2
Chemical formula: C11 H12 N2 O5
InChI: InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey: CDEURGJCGCHYFH-DJLDLDEBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
CACTVS 3.385OC[CH]1O[CH](C[CH]1O)N2C=C(C#C)C(=O)NC2=O
ACDLabs 12.01O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2)CO
OpenEye OEToolkits 1.7.6C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
CACTVS 3.385OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C#C)C(=O)NC2=O
Name:2'-deoxy-5-ethynyluridine
ChEMBL: CHEMBL222932
ZINC: ZINC000003794605
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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