Ligand · 4I0

4I0 · 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile

4I0, 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile (C30 H34 F2 N8 O S, 592.7 g/mol), in…

Component: 4I0
Formula: C30 H34 F2 N8 O S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

4I0 in 1 structure; the first of them:

7P0K · Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography… · 4I0 AAA910 · binds TYR82, ILE167, SER169, THR209, PHE210, LEU213, TYR214, LEU216 and 15 more

Residues it binds most

PHE 1, TRP 1, TYR 1, ALA 1, ILE 1, LEU 1, GLY 1, HIS 1, LYS 1, PRO 1 (residue and the binding sites it lines).

Found with

CA · Calcium ion
ZN · Zinc ion
BMA · beta-D-mannopyranose
MAN · alpha-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
IOD · Iodide ion
SCN · Thiocyanate ion

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