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- ChemComp-ES1: quinolin-4-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: ES1
NameName: quinolin-4-ol

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Chemical information

Composition
Formula: C9H7NO / Number of atoms: 18 / Formula weight: 145.158 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: ES1 / Ideal coordinates details: Corina
History
Create componentDec 2, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 3.352Oc1ccnc2ccccc12
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(ccn2)O

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SMILES CANONICAL

CACTVS 3.352Oc1ccnc2ccccc12
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(ccn2)O

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InChI

InChI 1.03InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

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InChIKey

InChI 1.03PMZDQRJGMBOQBF-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1quinolin-4-ol

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PDB entries

Showing all 4 items

PDB-3kpu:
Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol

PDB-4cus:
Crystal structure of human BAZ2B in complex with fragment-4 N09496

PDB-5pbb:
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09496a

PDB-8eh1:
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline

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