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- ChemComp-RVP: RIBAVIRIN MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: RVP
NameName: ribavirin monophosphate

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Chemical information

Composition
Formula: C8H13N4O8P / Number of atoms: 34 / Formula weight: 324.185 / Formal charge: 0
Others

1me7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RVP / Model coordinates PDB-ID: 1ME7
History
Create componentAug 9, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04O=C(c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N
CACTVS 3.341NC(=O)c1ncn(n1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1nc(nn1C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N

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SMILES CANONICAL

CACTVS 3.341NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N

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InChI

InChI 1.03InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1

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InChIKey

InChI 1.03SDWIOXKHTFOULX-AFCXAGJDSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-(5-O-phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 5 items

PDB-1me7:
Inosine Monophosphate Dehydrogenase (IMPDH) From Tritrichomonas Foetus with RVP and MOA bound

PDB-1me8:
Inosine Monophosphate Dehydrogenase (IMPDH) From Tritrichomonas Foetus with RVP bound

PDB-1nf7:
Ternary complex of the human type II Inosine Monophosphate Dedhydrogenase with Ribavirin Monophosphate and C2-Mycophenolic Adenine Dinucleotide

PDB-1r6a:
Structure of the dengue virus 2'O methyltransferase in complex with s-adenosyl homocysteine and ribavirin 5' triphosphate

PDB-7dfh:
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin

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