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- ChemComp-EYL: ~{N}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: EYL
NameName: ~{N}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide

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Chemical information

Composition
Formula: C15H13N3O2 / Number of atoms: 33 / Formula weight: 267.283 / Formal charge: 0
Others

6lzc

Type: non-polymer / PDB classification: HETAIN / Three letter code: EYL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LZC
History
Create componentFeb 19, 2020
Initial releaseFeb 24, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385ONC(=O)c1ccnc2n(Cc3ccccc3)ccc12
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO

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SMILES CANONICAL

CACTVS 3.385ONC(=O)c1ccnc2n(Cc3ccccc3)ccc12
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO

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InChI

InChI 1.03InChI=1S/C15H13N3O2/c19-15(17-20)13-6-8-16-14-12(13)7-9-18(14)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,17,19)

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InChIKey

InChI 1.03XLDKAVMMWVKIBY-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6lzc:
crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with KV-P2-4H-05

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