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- ChemComp-OKL: 8-chloranyl-3-pentyl-7H-purine-2,6-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: OKL
NameName: 8-chloranyl-3-pentyl-7H-purine-2,6-dione

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Chemical information

Composition
Formula: C10H13ClN4O2 / Number of atoms: 30 / Formula weight: 256.689 / Formal charge: 0
Others

8i7w

Type: non-polymer / PDB classification: HETAIN / Three letter code: OKL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8I7W
History
Create componentFeb 7, 2023
Initial releaseSep 13, 2023
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

CACTVS 3.385CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12
OpenEye OEToolkits 2.0.7CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O

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SMILES CANONICAL

CACTVS 3.385CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12
OpenEye OEToolkits 2.0.7CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O

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InChI

InChI 1.06InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)

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InChIKey

InChI 1.06CGAMDQCXAAOFSR-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-8i7w:
Cryo-EM structure of GSK256073 bound human hydroxy-carboxylic acid receptor 2 in complex with Gi heterotrimer

PDB-8ihb:
Cryo-EM structure of HCA2-Gi complex with GSK256073

PDB-8iyw:
Structure of GSK256073-GPR109A-G-protein complex

PDB-8j6j:
Cryo-EM structure of thehydroxycarboxylic acid receptor 2-Gi protein complex bound with GSK256073

PDB-8k5d:
Cryo-EM structure of GSK256073 bound human hydroxy-carboxylic acid receptor 2 (Local refinement)

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