GL1X · GenesisL1 explorer

Ligand · B1E

B1E · 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide

B1E, 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide (C27 H25 N5 O2, 451.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
B1E
Formula
C27 H25 N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

B1E in 1 structure; the first of them:

  • 5HID · BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 · B1E A801 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 12 more

Residues it binds most

ILE 2, VAL 2, LEU 2, PHE 2, ALA 2, ASP 2, CYS 2, GLN 2, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • PEG · Di(hydroxyethyl)ether

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