Ligand · I0T

I0T · N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide

I0T, N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide (C32 H42 Cl2 N6 O3 +2, 629.6 g/mol), in the MolNFT structures on GenesisL1…

Component: I0T
Formula: C32 H42 Cl2 N6 O3 +2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

I0T in 1 structure; the first of them:

7QY0 · X-ray structure of furin in complex with the dichlorophenylpyridine- based inhibitor 1 · I0T A601 · binds LEU152, HIS194, MET226, LEU227, VAL231, ASP233, GLU236, LEU240 and 9 more

Residues it binds most

LEU 1, ALA 1, ASP 1, GLY 1, TRP 1, GLU 1, HIS 1, MET 1, PRO 1, TYR 1 (residue and the binding sites it lines).

Found with

CA · Calcium ion
NA · Sodium ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
CL · Chloride ion
DMS · Dimethyl sulfoxide

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