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- ChemComp-HDT: 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFO... -

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Basic information

EntryDatabase: PDB chemical components / ID: HDT
NameName: 4-[(4-imidazo[1,2-A]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

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Chemical information

Composition
Formula: C17H14N6O2S / Number of atoms: 40 / Formula weight: 366.397 / Formal charge: 0
Others

1oit

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HDT / Model coordinates PDB-ID: 1OIT
History
Create componentJun 24, 2003
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 10.04O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34
CACTVS 3.341N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.341N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1
OpenEye OEToolkits 1.5.0c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)

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InChIKey

InChI 1.03NKORVPQBJCGYEC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
OpenEye OEToolkits 1.5.04-[(4-imidazo[3,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

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PDB entries

Showing all 1 items

PDB-1oit:
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation

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