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Ligand · CQF

CQF · (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2, 4]triazolo[4,3-a][1]benzazepin-6-amine

CQF, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2, 4]triazolo[4,3-a][1]benzazepin-6-amine (C22 H21 Cl N6, 404.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries).…

Component
CQF
Formula
C22 H21 Cl N6
Class
ligand
Structures
3
PDB entries
2

Binding sites

CQF in 3 structures; the first of them:

  • 6K05 · Crystal structure of BRD2(BD1)with ligand BY27 bound · CQF A201 · binds TRP97, PRO98, PHE99, LYS107, LEU108, LEU110, TYR113, CYS152 and 2 more
  • 6K04 · Crystal structure of BRD2(BD2)WITH ligand BY27 bound · CQF A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, CYS425, ASN429 and 4 more
  • 6K05 · Crystal structure of BRD2(BD1)WITH ligand BY27 bound · CQF A201 · binds TRP97, PRO98, PHE99, LYS107, LEU108, LEU110, TYR113, CYS152 and 2 more

Residues it binds most

LEU 5, ASN 5, CYS 5, PHE 5, PRO 5, TRP 5, ILE 4, TYR 4, VAL 3, LYS 2 (residue and the binding sites it lines).

Found with

  • MES · 2-(N-morpholino)-ethanesulfonic acid

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