Ligand · VLE

VLE · 1-[(6AS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6A, 7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1, 5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one

VLE, 1-[(6AS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6A, 7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1, 5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one (C25 H25 Cl N6 O2, 477.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: VLE
Formula: C25 H25 Cl N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

VLE in 2 structures; the first of them:

7OO7 · KRasG12C ligand complex · VLE A203 · binds GLY10, ALA11, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 14 more
7OO7 · KRASG12C ligand complex · VLE A203 · binds GLY10, ALA11, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 14 more

Residues it binds most

GLY 4, ALA 4, ARG 4, GLN 4, GLU 4, TYR 4, VAL 4, ASP 4, CYS 4, HIS 4 (residue and the binding sites it lines).

Found with

GDP · Guanosine-5'-diphosphate
CA · Calcium ion
MG · Magnesium ion

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