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BioLiP

PDB CCD ID: UBI
Number of entries in BioLiP: 0
Chemical formula: C14 H22 N3 O9 P
InChI: InChI=1S/C14H22N3O9P/c1-7(2)4-15-12(19)8-5-17(14(21)16-13(8)20)11-3-9(18)10(26-11)6-25-27(22,23)24/h5,7,9-11,18H,3-4,6H2,1-2H3,(H,15,19)(H,16,20,21)(H2,22,23,24)/t9-,10+,11+/m0/s1
InChIKey: MVIGTWKPLCSGIV-HBNTYKKESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(C(=O)NCC(C)C)=C1)CC2O
CACTVS 3.370CC(C)CNC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.7.6CC(C)CNC(=O)C1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
CACTVS 3.370CC(C)CNC(=O)C1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
Name:2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
ZINC: ZINC000098209487
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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