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- ChemComp-EJQ: ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: EJQ
NameName: ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide

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Chemical information

Composition
Formula: C12H15FN2O / Number of atoms: 31 / Formula weight: 222.259 / Formal charge: 0
Others

6g2x

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EJQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G2X
History
Create componentMar 23, 2018
Initial releaseApr 10, 2019
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 3.385Fc1ccc(NC(=O)CN2CCCC2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1NC(=O)CN2CCCC2)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(NC(=O)CN2CCCC2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1NC(=O)CN2CCCC2)F

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InChI

InChI 1.03InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)

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InChIKey

InChI 1.03XUHKVJOCQINJLO-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5r5w:
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z2856434942

PDB-5rm9:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434942

PDB-5slv:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434942

PDB-5sn6:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942

PDB-6g2x:
Crystal structure of the p97 D2 domain in a helical split-washer conformation

PDB-7hg7:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z46169164

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