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- ChemComp-PZZ: 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL -

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Basic information

EntryDatabase: PDB chemical components / ID: PZZ
NameName: 3-{3-[(dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol

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Chemical information

Composition
Formula: C14H20N2O / Number of atoms: 37 / Formula weight: 232.321 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PZZ / Ideal coordinates details: Corina
History
Create componentJul 5, 2007
Modify descriptorJun 4, 2011
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 10.04OCCCc1cccc2c1ncc2CN(C)C
CACTVS 3.341CN(C)Cc1c[nH]c2c(CCCO)cccc12
OpenEye OEToolkits 1.5.0CN(C)Cc1c[nH]c2c1cccc2CCCO

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SMILES CANONICAL

CACTVS 3.341CN(C)Cc1c[nH]c2c(CCCO)cccc12
OpenEye OEToolkits 1.5.0CN(C)Cc1c[nH]c2c1cccc2CCCO

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InChI

InChI 1.03InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3

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InChIKey

InChI 1.03KKQDXWHOFSMCSA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-{3-[(dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol
OpenEye OEToolkits 1.5.03-[3-(dimethylaminomethyl)-1H-indol-7-yl]propan-1-ol

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PDB entries

Showing all 3 items

PDB-2qhw:
Crystal structure of a complex of phospholipase A2 with a gramine derivative at 2.2 resolution

PDB-4hmb:
Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution

PDB-4qgd:
Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution

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