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Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase ABL1
Ligand Name
4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WVXNSAVVKYZVOE-UHFFFAOYSA-N
SMILES
CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3QRI
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Color Legend
Unassigned regionsLigand / hetero atomse3qriA1e3qriB1
ECOD domains from experimental PDB structures interacting with ligand DB13005
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00519DB130059193qrie3qriA1A:224-498
P00519DB130059193qrie3qriB1B:232-498
P00519DB130059193qrje3qrjA1A:234-496
P00519DB130059193qrje3qrjB1B:233-497