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- ChemComp-RBV: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: RBV
NameName: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
Synonyms: Ribavirin
Commentmedication, antivirus*YM

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Chemical information

Composition
Formula: C8H12N4O5 / Number of atoms: 29 / Formula weight: 244.205 / Formal charge: 0
Others

3sfu

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: RBV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SFU
History
Create componentJun 25, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / 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=C(c1ncn(n1)C2OC(C(O)C2O)CO)N
CACTVS 3.370NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.7.2c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.7.2c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

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InChI

InChI 1.03InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1

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InChIKey

InChI 1.03IWUCXVSUMQZMFG-AFCXAGJDSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
OpenEye OEToolkits 1.7.21-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

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PDB entries

Showing all 5 items

PDB-3sfu:
crystal structure of murine norovirus RNA dependent RNA polymerase in complex with ribavirin

PDB-4pb1:
Structure of vcCNT-7C8C bound to ribavirin

PDB-5axd:
Crystal structure of mouse SAHH complexed with ribavirin

PDB-8ki6:
Structure of tomato spotted wilt virus L protein binding to Ribavirin

PDB-8tz1:
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Ribavirin

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