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- ChemComp-Q5J: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfo... -

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Basic information

EntryDatabase: PDB chemical components / ID: Q5J
NameName: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide

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Chemical information

Composition
Formula: C17H16N4O2S / Number of atoms: 40 / Formula weight: 340.4 / Formal charge: 0
Others

6ue5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Q5J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6UE5
History
Create componentSep 23, 2019
Initial releaseDec 18, 2019
External linksUniChem / ChemSpider / PubChem / 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 12.01c1c(c3c(c(c1)NS(=O)(=O)c2ccc(cc2)CN)ncc3C#N)C
CACTVS 3.385Cc1ccc(N[S](=O)(=O)c2ccc(CN)cc2)c3[nH]cc(C#N)c13
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(N[S](=O)(=O)c2ccc(CN)cc2)c3[nH]cc(C#N)c13
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN

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InChI

InChI 1.03InChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3

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InChIKey

InChI 1.03YYJILEGPDDMZAV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.74-(aminomethyl)-~{N}-(3-cyano-4-methyl-1~{H}-indol-7-yl)benzenesulfonamide

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PDB entries

Showing all 1 items

PDB-6ue5:
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide

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