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- ChemComp-5H1: 1H-indol-5-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: 5H1
NameName: 1H-indol-5-ol / Synonyms: 5-hydroxyindole

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Chemical information

Composition
Formula: C8H7NO / Number of atoms: 17 / Formula weight: 133.147 / Formal charge: 0
Others

3fuh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5H1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3FUH
History
Create componentJan 20, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / HMDB / Metabolights / 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 10.04Oc1cc2c(cc1)ncc2
CACTVS 3.341Oc1ccc2[nH]ccc2c1
OpenEye OEToolkits 1.5.0c1cc2c(cc[nH]2)cc1O

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SMILES CANONICAL

CACTVS 3.341Oc1ccc2[nH]ccc2c1
OpenEye OEToolkits 1.5.0c1cc2c(cc[nH]2)cc1O

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InChI

InChI 1.03InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H

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InChIKey

InChI 1.03LMIQERWZRIFWNZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041H-indol-5-ol
OpenEye OEToolkits 1.5.01H-indol-5-ol

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PDB entries

Showing all 4 items

PDB-3fuh:
Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin

PDB-4b3c:
Humanised monomeric RadA in complex with 5-hydroxy indole

PDB-5n3p:
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 1H-Indol-5-ol

PDB-7hrd:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1203162319

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