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- ChemComp-ZZY: 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: ZZY
NameName: 1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-B]pyridine-6-carboxamide

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Chemical information

Composition
Formula: C14H10N4O5S / Number of atoms: 34 / Formula weight: 346.318 / Formal charge: 0
Others

2wd1

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZZY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WD1
History
Create componentMar 19, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 10.04[O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N
CACTVS 3.352NC(=O)c1cnc2ccn(c2c1)[S](=O)(=O)c3ccccc3[N+]([O-])=O
OpenEye OEToolkits 1.6.1c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N

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SMILES CANONICAL

CACTVS 3.352NC(=O)c1cnc2ccn(c2c1)[S](=O)(=O)c3ccccc3[N+]([O-])=O
OpenEye OEToolkits 1.6.1c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N

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InChI

InChI 1.03InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)

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InChIKey

InChI 1.03USLOIFPDNUDIEG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
OpenEye OEToolkits 1.6.11-(2-nitrophenyl)sulfonylpyrrolo[2,3-e]pyridine-6-carboxamide

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PDB entries

Showing all 1 items

PDB-2wd1:
Human c-Met Kinase in complex with azaindole inhibitor

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