GL1X · GenesisL1 explorer

Ligand · 3M6

3M6 · (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid

3M6, (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid (C30 H30 F4 N4 O7 S, 666.6 g/mol), in the MolNFT…

Component
3M6
Formula
C30 H30 F4 N4 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3M6 in 2 structures; the first of them:

  • 4WGI · A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1… · 3M6 A402 · binds ALA227, PHE228, MET231, VAL249, VAL253, PHE254, THR259, ARG263 and 7 more
  • 4WGI · A single diastereomer of a macrolactam core binds specifically to myeloid cell leukemia 1… · 3M6 A402 · binds ALA227, PHE228, MET231, VAL249, VAL253, PHE254, THR259, ARG263 and 7 more

Residues it binds most

PHE 2, THR 2, LEU 2, VAL 2, ALA 2, ARG 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • GLC · alpha-D-glucopyranose
  • FMT · Formic acid

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