Ligand · 6XJ

6XJ · (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide

6XJ, (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide (C33 H36 Br…

Component: 6XJ
Formula: C33 H36 Br Cl2 N5 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

6XJ in 2 structures; the first of them:

5KU9 · Crystal structure of MCL1 with compound 1 · 6XJ A402 · binds HIS224, ALA227, PHE228, MET231, VAL249, MET250, HIS252, VAL253 and 6 more
5KU9 · Crystal structure of MCL1 with compound 1 · 6XJ A402 · binds HIS224, ALA227, PHE228, MET231, VAL249, MET250, HIS252, VAL253 and 6 more

Residues it binds most

HIS 4, MET 4, VAL 4, PHE 4, ALA 4, ARG 4, LEU 4, SER 4, THR 4, ASP 2 (residue and the binding sites it lines).

Found with

NA · Sodium ion

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