GL1X · GenesisL1 explorer

Ligand · PMW

PMW · Methyl (R)-2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate

PMW, Methyl (R)-2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate (C22 H25 Cl N4 O2 S, 445.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
PMW
Formula
C22 H25 Cl N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PMW in 2 structures; the first of them:

  • 6YTM · Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe · PMW A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, VAL383, TYR386, CYS425 and 6 more
  • 6YTM · Human BRD2(BD2) L383V mutant in complex with et-JQ1-ome · PMW A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, VAL383, TYR386, CYS425 and 6 more

Residues it binds most

VAL 4, TYR 4, ASN 4, ASP 4, CYS 4, HIS 4, LEU 4, MET 4, PHE 4, PRO 4 (residue and the binding sites it lines).

Found with

  • PXN · (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol

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