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- ChemComp-M4H: 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclop... -

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Basic information

EntryDatabase: PDB chemical components / ID: M4H
NameName: 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

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Chemical information

Composition
Formula: C19H19N3O4 / Number of atoms: 45 / Formula weight: 353.372 / Formal charge: 0
Others

6szv

Type: non-polymer / PDB classification: HETAIN / Three letter code: M4H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SZV
History
Create componentOct 3, 2019
Initial releaseApr 15, 2020
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

CACTVS 3.385OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
OpenEye OEToolkits 2.0.7c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
OpenEye OEToolkits 2.0.7c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)

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InChIKey

InChI 1.03OTPKNUJKFUZRDR-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-6szu:
Bat Influenza A polymerase pre-termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence

PDB-6szv:
Bat Influenza A polymerase elongation complex with incoming UTP analogue (core + endonuclease only)

PDB-6t0v:
Bat Influenza A polymerase elongation complex with incoming UTP analogue (complete polymerase)

PDB-6tw1:
Bat Influenza A polymerase termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence

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