Het-PDB Navi2 (PDB: 6EBW)

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Ligands
Code	Name		Style	Show	Link
J3Y	[6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-B]pyridin-3-yl](morpholin-4-yl)methanone				PoSSuM

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Download interaction data: 6EBW

Code :

6EBW PDBj RCSB PDB PDBe

Header :

TRANSFERASE/INHIBITOR

Title :

hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-B]pyridin-3-yl)(morpholin-4-yl)methanone

Release Data :

2019-05-01

Compound :

mol_id	molecule	chains	synonym
1	ALK tyrosine kinase receptor	A	Anaplastic lymphoma kinase
	ec: 2.7.10.1

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Unidentified baculovirus (taxid:10469)
	gene: ALK

Authors :

Lane, W., Saikatendu, K.

Keywords :

Inhibitor, complex, kinase, sbdd, TRANSFERASE-INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 2.455 Å )

Citation :

Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.

Fushimi, M.,Fujimori, I.,Wakabayashi, T. et al.
(2019) J.Med.Chem. 62 : 4915 - 4935

PubMed: 31009559
DOI: 10.1021/acs.jmedchem.8b01630

Chain :

UniProt :

Q9UM73 (ALK_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein]	2.7.10.1	PROSITE-ProRule:PRU10028, PubMed:30061385, PubMed:34819673
	-	PROSITE-ProRule:PRU10028, PubMed:30061385, PubMed:34819673

PDB ID: 6EBW

Hetero Atom Contents

Structure summary

Reaction