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- ChemComp-E70: N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: E70
NameName: N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide

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Chemical information

Composition
Formula: C18H17N3O4S / Number of atoms: 43 / Formula weight: 371.41 / Formal charge: 0
Others

3hkc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E70 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HKC
History
Create componentMay 27, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChemicalBook / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / ZINC / 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)(c1ccc(OC)cc1)Nc3cccnc3Nc2ccc(O)cc2
CACTVS 3.341COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3
OpenEye OEToolkits 1.5.0COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O

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SMILES CANONICAL

CACTVS 3.341COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3
OpenEye OEToolkits 1.5.0COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O

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InChI

InChI 1.03InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)

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InChIKey

InChI 1.03URCVCIZFVQDVPM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide
OpenEye OEToolkits 1.5.0N-[2-[(4-hydroxyphenyl)amino]pyridin-3-yl]-4-methoxy-benzenesulfonamide

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PDB entries

Showing all 1 items

PDB-3hkc:
Tubulin-ABT751: RB3 stathmin-like domain complex

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