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- ChemComp-AML: AMYLAMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: AML
NameName: amylamine

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Chemical information

Composition
Formula: C5H13N / Number of atoms: 19 / Formula weight: 87.163 / Formal charge: 0
Others

1jir

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AML / Model coordinates PDB-ID: 1JIR
History
Create componentJul 5, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / NMRShiftDB / 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

ACDLabs 10.04NCCCCC
CACTVS 3.341CCCCCN
OpenEye OEToolkits 1.5.0CCCCCN

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SMILES CANONICAL

CACTVS 3.341CCCCCN
OpenEye OEToolkits 1.5.0CCCCCN

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InChI

InChI 1.03InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3

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InChIKey

InChI 1.03DPBLXKKOBLCELK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04pentan-1-amine
OpenEye OEToolkits 1.5.0pentan-1-amine

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PDB entries

Showing all 5 items

PDB-1jir:
Crystal Structure of Trypsin Complex with Amylamine in Cyclohexane

PDB-3tv3:
Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with Man9

PDB-3twc:
Crystal structure of broad and potent HIV-1 neutralizing antibody PGT127 in complex with Man9

PDB-6ax4:
Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b.

PDB-7qzl:
Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine

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