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- ChemComp-ZCW: 2-(1H-indol-3-yl)ethanol -

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Basic information

EntryDatabase: PDB chemical components / ID: ZCW
NameName: 2-(1H-indol-3-yl)ethanol

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Chemical information

Composition
Formula: C10H11NO / Number of atoms: 23 / Formula weight: 161.2 / Formal charge: 0
Others

2vaq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZCW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VAQ
History
Create componentDec 17, 2012
Initial releaseDec 6, 2017
External linksUniChem / ChemSpider / 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 12.01OCCc2c1ccccc1nc2
CACTVS 3.370OCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CCO

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SMILES CANONICAL

CACTVS 3.370OCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CCO

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InChI

InChI 1.03InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

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InChIKey

InChI 1.03MBBOMCVGYCRMEA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(1H-indol-3-yl)ethanol
OpenEye OEToolkits 1.7.62-(1H-indol-3-yl)ethanol

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PDB entries

Showing all 6 items

PDB-5wmv:
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1

PDB-5wmx:
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1

PDB-6cxv:
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide

PDB-6e35:
Crystal structure of human indoleamime 2,3-dioxygenase (IDO1) in complex with L-Trp and cyanide, Northeast Structural Genomics Target HR6160

PDB-6k80:
Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Complex with CoA and Tryptophol

PDB-7eer:
Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with 05E6 and ATP

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