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- ChemComp-CG8: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropy... -

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Basic information

EntryDatabase: PDB chemical components / ID: CG8
NameName: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid

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Chemical information

Composition
Formula: C10H14N4O4 / Number of atoms: 32 / Formula weight: 254.243 / Formal charge: 0
Others

6f28

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CG8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F28
History
Create componentNov 27, 2017
Initial releaseFeb 28, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CN1CC2=C(C1)C(=O)NC(=O)N2C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6CN1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385CN1CC2=C(C1)C(=O)NC(=O)N2C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1

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InChIKey

InChI 1.03BJXZWHLUHLDGNK-LURJTMIESA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid

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PDB entries

Showing all 2 items

PDB-6f28:
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A

PDB-6yk4:
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-6-methyl-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.00A

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