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Yorodumi- ChemComp-TPB: 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TPB | ||||
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Name | Name: Wikipedia | Wikipedia - Dapivirine: Dapivirine is a non-nucleoside reverse transcriptase inhibitor developed at Janssen Therapeutics (formerly Tibotec Therapeutics). The International Partnership for Microbicides has held exclusive worldwide rights to dapivirine since 2014, building upon a 2004 royalty-free license to develop dapivirine-based microbicides for women in resource-poor countries.
| A monthly intravaginal ring containing dapivirine has been developed as a way of preventing infection by human immunodeficiency virus in women... Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C20H19N5 / Number of atoms: 44 / Formula weight: 329.398 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TPB / Model coordinates PDB-ID: 1S6Q | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-1s6q:
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681