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Attributes

UniProt ID
Protein Name
Histone deacetylase 2
Ligand Name
1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CNNYTLGFUDHERQ-QZTJIDSGSA-O
SMILES
c1ccc(cc1)C2CC([NH2+]C2)C(=O)N3Cc4ccccc4C3
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8A0B
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Color Legend
Unassigned regionsLigand / hetero atomse8a0bA1e8a0bB1e8a0bC1
ECOD domains from experimental PDB structures interacting with ligand KRU
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q92769n/aKRU8a0be8a0bA1A:11-379
Q92769n/aKRU8a0be8a0bB1B:13-379
Q92769n/aKRU8a0be8a0bC1C:14-379