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Ligand · 0G3

0G3 · N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide

0G3, N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide (C32 H29 F N6 O2 S, 580.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
0G3
Formula
C32 H29 F N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0G3 in 2 structures; the first of them:

  • 7ORF · Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) · 0G3 A501 · binds ILE70, VAL78, ALA91, ILE92, LYS93, ILE124, LEU126, LEU144 and 15 more
  • 7ORF · Crystal structure of JNK3 in complex with fmu-001-367 (compound 1) · 0G3 A501 · binds ILE70, VAL78, ALA91, LYS93, ILE124, LEU126, LEU144, VAL145 and 14 more

Residues it binds most

LEU 2, VAL 2, ILE 2, ALA 2, ASN 2, GLN 2, MET 2, ASP 2, CYS 2, GLU 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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