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BioLiP

PDB CCD ID: U4P
Number of entries in BioLiP: 4
Chemical formula: C9 H12 N2 O5
InChI: InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1
InChIKey: WUBAOANSQGKRHF-XVFCMESISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
CACTVS 3.385C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
CACTVS 3.385C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
ACDLabs 12.01O=C1NC(=O)C=CN1C2C(C(C(O2)C)O)O
OpenEye OEToolkits 2.0.7C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
Name:5'-deoxyuridine
ChEMBL: CHEMBL3250647
ZINC: ZINC000006490943

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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