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BioLiP

PDB CCD ID: DRM
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N2 O6 P
InChI: InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1
InChIKey: KKXMDNJBVSYDQL-HTQZYQBOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O
CACTVS 3.341O[P](O)(=O)CO[C@@H]1CCC[C@H]1N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1CC(C(C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O
CACTVS 3.341O[P](O)(=O)CO[CH]1CCC[CH]1N2C=CC(=O)NC2=O
Name:{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID;
1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL;
PMCP-U
ZINC: ZINC000024790285
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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