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- ChemComp-LWA: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LWA
NameName: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide

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Chemical information

Composition
Formula: C12H14N2O3 / Number of atoms: 31 / Formula weight: 234.251 / Formal charge: 0
Others

5qpv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LWA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QPV
History
Create componentMar 15, 2019
Initial releaseMar 25, 2020
External linksUniChem / ChemSpider / 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 3.385NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N)NC(=O)C2CCCO2

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SMILES CANONICAL

CACTVS 3.385NC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2

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InChI

InChI 1.03InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1

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InChIKey

InChI 1.03FSZYBIFIACXSAG-JTQLQIEISA-N

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PDB entries

Showing all 5 items

PDB-5qpv:
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000416a

PDB-5r88:
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1545313172 in complex with INTERLEUKIN-1 BETA

PDB-5reg:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172

PDB-5snb:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172

PDB-7g92:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172

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