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- ChemComp-NVP: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1... -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: NVP
NameName: 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-B:2',3'-E][1,4]diazepin-6-one
Synonyms: NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE
Commentmedication, antiretroviral*YM

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Chemical information

Composition
Formula: C15H14N4O / Number of atoms: 34 / Formula weight: 266.298 / Formal charge: 0
Others

1jlf

NEV

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NVP / Model coordinates PDB-ID: 1JLF / Replaces: NEV
History
Create componentAug 15, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / NMRShiftDB / 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 10.04O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
CACTVS 3.341Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
OpenEye OEToolkits 1.5.0Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

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SMILES CANONICAL

CACTVS 3.341Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
OpenEye OEToolkits 1.5.0Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

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InChI

InChI 1.03InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

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InChIKey

InChI 1.03NQDJXKOVJZTUJA-UHFFFAOYSA-N

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PDB entries

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