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BioLiP

PDB CCD ID: DDU
Number of entries in BioLiP: 3
Chemical formula: C9 H12 N2 O4
InChI: InChI=1S/C9H12N2O4/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14/h2-3,5-6,8,12H,4H2,1H3,(H,10,13,14)/t5-,6+,8-/m1/s1
InChIKey: FDCFKLBIAIKUKB-GKROBHDKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O
CACTVS 3.341C[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
CACTVS 3.341C[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0CC1C(CC(O1)N2C=CC(=O)NC2=O)O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2)C
Name:2'-5'DIDEOXYURIDINE
DrugBank: DB03274
ZINC: ZINC000003870698
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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