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Attributes

UniProt ID
Protein Name
Proto-oncogene tyrosine-protein kinase Src
Ligand Name
N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JDCJZTAGQPRSAO-QFIPXVFZSA-N
SMILES
Cc1ccc(cc1C#Cc2c3cncnc3n(c2CC(C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5SYS
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Color Legend
Unassigned regionsLigand / hetero atomse5sysA1e5sysB1
ECOD domains from experimental PDB structures interacting with ligand 72F
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00523n/a72F5syse5sysA1A:258-533
P00523n/a72F5syse5sysB1B:258-533