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- ChemComp-LXA: ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LXA
NameName: ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide

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Chemical information

Composition
Formula: C11H13N3O2 / Number of atoms: 29 / Formula weight: 219.24 / Formal charge: 0
Others

5qq3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LXA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QQ3
History
Create componentMar 15, 2019
Initial releaseApr 29, 2020
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 3.385COCC(=O)NCc1[nH]c2ccccc2n1
OpenEye OEToolkits 2.0.6COCC(=O)NCc1[nH]c2ccccc2n1

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SMILES CANONICAL

CACTVS 3.385COCC(=O)NCc1[nH]c2ccccc2n1
OpenEye OEToolkits 2.0.6COCC(=O)NCc1[nH]c2ccccc2n1

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InChI

InChI 1.03InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)

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InChIKey

InChI 1.03LZINBAGZNCYRNQ-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-5qq3:
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000672a

PDB-7g85:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496

PDB-7g8g:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496

PDB-9f4u:
UP1 in complex with Z111529496

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