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- ChemComp-CKR: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4... -

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Basic information

EntryDatabase: PDB chemical components / ID: CKR
NameName: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Synonyms: 6-Amino-2-[(2-morpholin-4-ylethyl)amino]-8-oxo-7,8-dihydro-1H-imidazo[4,5-G]quinazolin

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Chemical information

Composition
Formula: C15H19N7O2 / Number of atoms: 43 / Formula weight: 329.357 / Formal charge: 0
Others

3c2y

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CKR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3C2Y
History
Create componentJan 30, 2008
Modify descriptorJun 4, 2011
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 10.04O=C2NC(=Nc1cc3nc(nc3cc12)NCCN4CCOCC4)N
CACTVS 3.341NC1=Nc2cc3[nH]c(NCCN4CCOCC4)nc3cc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.341NC1=Nc2cc3[nH]c(NCCN4CCOCC4)nc3cc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23)

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InChIKey

InChI 1.03JUHXOBNFTFUPKQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits 1.5.06-amino-2-(2-morpholin-4-ylethylamino)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

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PDB entries

Showing all 4 items

PDB-4puj:
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

PDB-4q8o:
tRNA-Guanine Transglycosylase (TGT) Mutant V262T in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

PDB-4q8p:
tRNA-Guanine Transglycosylase (TGT) Mutant V262D in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

PDB-4q8q:
tRNA-Guanine Transglycosylase (TGT) Mutant V262C in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one

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