VEGFR2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine inhibitor (SNPs and modified residues highlighted)

VEGFR2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine inhibitor (SNPs and modified residues highlighted)

In [1]: from credopymol import *
In [2]: s = StructureAdaptor().fetchByPDB('1YWN')
In [3]: s.load() # modified residues are automatically highlighted in green
 
In [4]: s.Ligands 
Out[4]: [Ligand(301, LIF, A)]
 
In [5]: s.Ligands[0].showContacts()
In [6]: s.showMutations()
 
In [7]: s.getAbstract ()
Out[7]: [('A novel class of furo[2,3-d]pyrimidines has been discovered as potent dual inhibitors of Tie-2 and VEGFR2 receptor tyrosine kinases (TK) and a diarylurea moiety at 5-position shows remarkably enhanced activity against both enzymes. One of the most active compounds, 4-amino-3-(4-((2-fluoro-5-(trifluoromethyl)phenyl)amino-carbonylamino)phen yl)-2-(4-methoxyphenyl)furo[2,3-d]pyrimidine (7k) is <3 nM on both TK receptors and the activity is rationalized based on the X-ray crystal structure.',)]