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BioLiP

PDB CCD ID: PDU
Number of entries in BioLiP: 0
Chemical formula: C12 H15 N2 O8 P
InChI: InChI=1S/C12H15N2O8P/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
InChIKey: NUOBVCABUBRVOG-IVZWLZJFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
OpenEye OEToolkits 2.0.7CC#CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
CACTVS 3.385CC#CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.385CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
Name:5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE
ChEMBL: CHEMBL3142713
ZINC: ZINC000013604356
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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