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- ChemComp-P2Z: Promazine -

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Basic information

EntryDatabase: PDB chemical components / ID: P2Z
NameName: Promazine
Synonyms: N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine

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Chemical information

Composition
Formula: C17H20N2S / Number of atoms: 40 / Formula weight: 284.419 / Formal charge: 0
Others

4ma7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: P2Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MA7
History
Create componentAug 23, 2013
Initial releaseJan 22, 2014
Modify synonymsJun 5, 2020
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 12.01S2c1ccccc1N(c3c2cccc3)CCCN(C)C
CACTVS 3.385CN(C)CCCN1c2ccccc2Sc3ccccc13
OpenEye OEToolkits 1.7.6CN(C)CCCN1c2ccccc2Sc3c1cccc3

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SMILES CANONICAL

CACTVS 3.385CN(C)CCCN1c2ccccc2Sc3ccccc13
OpenEye OEToolkits 1.7.6CN(C)CCCN1c2ccccc2Sc3c1cccc3

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InChI

InChI 1.03InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

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InChIKey

InChI 1.03ZGUGWUXLJSTTMA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
OpenEye OEToolkits 1.7.6N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine

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PDB entries

Showing all 2 items

PDB-4ma7:
Crystal structure of mouse prion protein complexed with Promazine

PDB-7lgi:
The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs

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