GL1X · GenesisL1 explorer

Ligand · 6Q4

6Q4 · N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide

6Q4, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide (C28 H38 F3 N7 O2, 561.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
6Q4
Formula
C28 H38 F3 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6Q4 in 2 structures; the first of them:

  • 5K3Y · Crystal structure of AuroraB/INCENP in complex with BI 811283 · 6Q4 A401 · binds LEU99, GLY100, GLY102, LYS103, VAL107, ALA120, LEU154, LEU170 and 10 more
  • 5K3Y · Crystal structure of AURORAB/INCENP in complex with bi 811283 · 6Q4 A402 · binds LEU99, GLY100, GLY102, LYS103, VAL107, ALA120, LEU154, LEU170 and 10 more

Residues it binds most

LEU 4, ALA 4, GLU 4, GLY 4, LYS 4, PHE 4, PRO 4, VAL 4, ASN 2 (residue and the binding sites it lines).

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