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- ChemComp-EFW: 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: EFW
NameName: 6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide

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Chemical information

Composition
Formula: C11H15N3O2 / Number of atoms: 31 / Formula weight: 221.256 / Formal charge: 0
Others

4efw
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EFW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4EFW
History
Create componentApr 10, 2012
Initial releaseMar 16, 2016
External linksUniChem / ChemSpider / BindingDB / 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

ACDLabs 12.01O=C(c2cnc(NC1CC(O)CC1)cc2)N
CACTVS 3.370NC(=O)c1ccc(N[CH]2CC[CH](O)C2)nc1
OpenEye OEToolkits 1.7.6c1cc(ncc1C(=O)N)NC2CCC(C2)O

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SMILES CANONICAL

CACTVS 3.370NC(=O)c1ccc(N[C@@H]2CC[C@@H](O)C2)nc1
OpenEye OEToolkits 1.7.6c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O

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InChI

InChI 1.03InChI=1S/C11H15N3O2/c12-11(16)7-1-4-10(13-6-7)14-8-2-3-9(15)5-8/h1,4,6,8-9,15H,2-3,5H2,(H2,12,16)(H,13,14)/t8-,9-/m1/s1

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InChIKey

InChI 1.03PLJXPUZSPCVRPI-RKDXNWHRSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide
OpenEye OEToolkits 1.7.66-[[(1R,3R)-3-oxidanylcyclopentyl]amino]pyridine-3-carboxamide

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PDB entries

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PDB-4yqc:
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds

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