GL1X · GenesisL1 explorer

Ligand · 9I6

9I6 · (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl) phenyl]methyl]butanamide

9I6, (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl) phenyl]methyl]butanamide (C32 H33 Br Cl N5 O4, 667.0 g/mol), in the MolNFT structures on…

Component
9I6
Formula
C32 H33 Br Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

9I6 in 2 structures; the first of them:

  • 7WM7 · Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor · 9I6 A702 · binds HIS309, TYR313, ALA316, MET317, PRO331, MET332, CYS334, ARG363 and 16 more
  • 7WM7 · Threonyl-tRNA synthetase from salmonella enterica in complex with an inhibitor · 9I6 A702 · binds HIS309, TYR313, ALA316, MET317, PRO331, MET332, CYS334, ARG363 and 12 more

Residues it binds most

ARG 4, HIS 4, MET 4, ALA 4, TYR 4, ASP 4, CYS 4, GLN 4, PHE 4, PRO 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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