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- ChemComp-L8P: ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]... -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: L8P
NameName: ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Synonyms: Cidofovir
Commentmedication, antivirus*YM

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Chemical information

Composition
Formula: C8H14N3O6P / Number of atoms: 32 / Formula weight: 279.187 / Formal charge: 0
Others

2l8p

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: L8P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2L8P
History
Create componentFeb 1, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO
CACTVS 3.370NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1
OpenEye OEToolkits 1.7.0C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370NC1=NC(=O)N(C[C@@H](CO)OC[P](O)(O)=O)C=C1
OpenEye OEToolkits 1.7.0C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1

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InChIKey

InChI 1.03VWFCHDSQECPREK-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 12.01({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
OpenEye OEToolkits 1.7.0[(2S)-1-(4-azanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid

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PDB entries

Showing all 1 items

PDB-5km8:
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) Cidofovir complex

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