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- ChemComp-N8U: ~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: N8U
NameName: ~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide

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Chemical information

Composition
Formula: C9H11N3O2S / Number of atoms: 26 / Formula weight: 225.268 / Formal charge: 0
Others

8ao4

Type: non-polymer / PDB classification: HETAIN / Three letter code: N8U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AO4
History
Create componentAug 12, 2022
Initial releaseSep 28, 2022
Modify descriptorSep 23, 2023
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2

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SMILES CANONICAL

CACTVS 3.385CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2

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InChI

InChI 1.06InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11)

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InChIKey

InChI 1.06RCLHSLDLIZMGRM-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8ao4:
Specific covalent inhibitor (5) of ERK2

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