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Yorodumi- ChemComp-H52: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: H52 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C16H21N3O2S / Number of atoms: 43 / Formula weight: 319.422 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H52 / Model coordinates PDB-ID: 1Q8U | ||||
History |
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External links | BindingDB / UniChem / Brenda / ChEBI / ChEMBL / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-1q8u:
The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor H-1152P
PDB-2gnh:
PKA five fold mutant model of Rho-kinase with H1152P
PDB-2gnl:
PKA threefold mutant model of Rho-kinase with inhibitor H-1152P
PDB-3d9v:
CRYSTAL STRUCTURE OF ROCK I BOUND TO H-1152P A DI-METHYLATED VARIANT OF FASUDIL
PDB-4f1t:
Crystal Structure of the Roco4 Kinase Domain from D. discoideum bound to the ROCK Inhibitor H1152
PDB-5m6v:
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative