+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IQB | ||||
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Name | Name: Synonyms: H-89 Wikipedia | Wikipedia - H-89: H-89 is a protein kinase inhibitor with greatest effect on protein kinase A (PKA). H-89, derived from H-8 (N-[2-(methylamino)ethyl]-5-isoquinoline-sulfonamide), was initially believed to act specifically as an inhibitor of PKA, being 30 times more potent than H-8 at inhibiting PKA and 10 times less potent at inhibiting protein kinase G... | Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C20H20BrN3O2S / Number of atoms: 47 / Formula weight: 446.361 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IQB / Model coordinates PDB-ID: 1YDT | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / DrugBank / GtoPharmacology / 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 3 items
PDB-1ydt:
STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE
PDB-3fmd:
Crystal Structure of Human Haspin with an Isoquinoline ligand
PDB-3vqh:
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89