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- ChemComp-TEK: ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: TEK
NameName: ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide

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Chemical information

Composition
Formula: C11H13N3O / Number of atoms: 28 / Formula weight: 203.24 / Formal charge: 0
Others

7bdg

Type: non-polymer / PDB classification: HETAIN / Three letter code: TEK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BDG
History
Create componentDec 21, 2020
Initial releaseJan 12, 2022
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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

CACTVS 3.385CCn1c(NC(C)=O)nc2ccccc12
OpenEye OEToolkits 2.0.7CCn1c2ccccc2nc1NC(=O)C

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SMILES CANONICAL

CACTVS 3.385CCn1c(NC(C)=O)nc2ccccc12
OpenEye OEToolkits 2.0.7CCn1c2ccccc2nc1NC(=O)C

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InChI

InChI 1.03InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)

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InChIKey

InChI 1.03CTAOPYAHPUKQBH-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-7bdg:
Notum Fragment 934

PDB-7h3j:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z68639747 (A71EV2A-x0412)

PDB-7hki:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z68639747 (DNV2_NS5A-x0250)

PDB-8plq:
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 27.

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