DrugDomain logoDrugDomain

Attributes

UniProt ID
P00520
Protein Name
Tyrosine-protein kinase ABL1
Ligand Name
4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
DrugBank ID
DB00619
PDB Ligand Accession
STI
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KTUFNOKKBVMGRW-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 1IEP
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Color Legend
Unassigned regionsLigand / hetero atomse1iepA1e1iepB1
ECOD domains from experimental PDB structures interacting with ligand DB00619
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00520DB00619STI1iepe1iepA1A:228-498
P00520DB00619STI1iepe1iepB1B:228-498
P00520DB00619STI1opje1opjA1A:247-520
P00520DB00619STI1opje1opjB1B:247-520
P00520DB00619STI3k5ve3k5vA1A:243-529
P00520DB00619STI3k5ve3k5vB1B:244-529
P00520DB00619STI3ms9e3ms9A1A:224-498
P00520DB00619STI3ms9e3ms9B1B:224-498
P00520DB00619STI3msse3mssA1A:225-498
P00520DB00619STI3msse3mssB1B:225-498
P00520DB00619STI3msse3mssC1C:225-498
P00520DB00619STI3msse3mssD1D:225-498
P00520DB00619STI6hd4e6hd4A1A:242-529
P00520DB00619STI6hd4e6hd4B1B:244-529
P00520DB00619STI6hd6e6hd6A1A:243-529
P00520DB00619STI6hd6e6hd6B1B:244-529