DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
deleted
Ligand Name
6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MFHNBYVWNDLIQC-LLVKDONJSA-N
SMILES
CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4HY1
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Color Legend
Unassigned regionsLigand / hetero atomse4hy1A3e4hy1A4e4hy1B1
ECOD domains from experimental PDB structures interacting with ligand 19X
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q2A1P5n/a19X4hy1e4hy1A3A:7-216
Q2A1P5n/a19X4hy1e4hy1B1B:8-234,B:258-271