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Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase ABL1
Ligand Name
CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GCIKSSRWRFVXBI-UHFFFAOYSA-N
SMILES
Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 2F4J
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Color Legend
Unassigned regionsLigand / hetero atomse2f4jA1
ECOD domains from experimental PDB structures interacting with ligand VX6
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00519n/aVX62f4je2f4jA1A:227-513
P00519n/aVX64zoge4zogA1A:233-501
P00519n/aVX64zoge4zogB1B:234-503