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- ChemComp-4LJ: 1.7.6 3-bromanylpropan-1-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 4LJ
NameName: 1.7.6 3-bromanylpropan-1-amine

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Chemical information

Composition
Formula: C3H8BrN / Number of atoms: 13 / Formula weight: 138.006 / Formal charge: 0
Others

4z91

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4LJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Z91
History
Create componentApr 10, 2015
Initial releaseSep 16, 2015
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 3.385NCCCBr
OpenEye OEToolkits 1.7.6C(CN)CBr

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SMILES CANONICAL

CACTVS 3.385NCCCBr
OpenEye OEToolkits 1.7.6C(CN)CBr

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InChI

InChI 1.03InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2

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InChIKey

InChI 1.03ZTGQZSKPSJUEBU-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-3pse:
Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15)

PDB-3pt2:
Structure of a viral OTU domain protease bound to Ubiquitin

PDB-4hxd:
Diversity of ubiquitin and ISG15 specificity amongst nairoviruses viral ovarian tumor domain proteases

PDB-4z91:
ELIC cocrystallized with isofluorane in a desensitized state

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