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- ChemComp-MZF: (3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihyd... -

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Basic information

EntryDatabase: PDB chemical components / ID: MZF
NameName: (3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one

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Chemical information

Composition
Formula: C11H8BrN3O3 / Number of atoms: 26 / Formula weight: 310.104 / Formal charge: 0
Others

7gds

Type: non-polymer / PDB classification: HETAIN / Three letter code: MZF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GDS
History
Create componentAug 16, 2023
Initial releaseNov 8, 2023
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 12.01Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1
CACTVS 3.385O[CH]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13
OpenEye OEToolkits 2.0.7c1cc2c(cc1Br)C(C(=O)N2Cc3ncon3)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13
OpenEye OEToolkits 2.0.7c1cc2c(cc1Br)[C@H](C(=O)N2Cc3ncon3)O

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InChI

InChI 1.06InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1

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InChIKey

InChI 1.06LYOFEJVGYOXWIE-SNVBAGLBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits 2.0.7(3~{R})-5-bromanyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-oxidanyl-3~{H}-indol-2-one

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PDB entries

Showing all 1 items

PDB-7gds:
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with LOR-NOR-30067bb9-18 (Mpro-x11212)

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