Brand  (β version)

PDB ID: 4CTC

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Ligands
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J99 (10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one PoSSuM
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Structure summary

Code : 4CTC   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-H)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one
Release Data : 2014-05-28
Compound :
mol_id molecule chains synonym
1 ALK TYROSINE KINASE RECEPTOR A ANAPLASTIC LYMPHOMA KINASE, CD246
ec: 2.7.10.1
fragment: TYROSINE KINASE DOMAIN, RESIDUES 1093-1411
other_details: NONPHOSPHORYLATED
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN SPODOPTERA FRUGIPERDA  (taxid:7108)
expression_system_common: FALL ARMYWORM
expression_system_cell_line: SF9
expression_system_vector_type: BACULOVIRUS
expression_system_plasmid: PFASTBAC
Authors : McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Keywords : TRANSFERASE, INHIBITOR
Exp. method : X-RAY DIFFRACTION ( 2.03 Å )
Citation :

Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.

Johnson, T.W.,Richardson, P.F.,Bailey, S.  et al.
(2014)  J.Med.Chem.  57 : 4720

PubMed: 24819116
DOI: 10.1021/JM500261Q

Reaction

Chain : A
UniProt : Q9UM73 (ALK_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.10.1 PROSITE-ProRule:PRU10028, PubMed:30061385, PubMed:34819673
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