Ligand · SKV

SKV · 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide

SKV, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide (C28 H28 F4 N6 O4, 588.5 g/mol), in the MolNFT…

Component: SKV
Formula: C28 H28 F4 N6 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

SKV in 2 structures; the first of them:

6W35 · A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical… · SKV A909 · binds LEU79, SER82, TYR83, ILE168, SER170, PHE211, LEU214, TYR215 and 11 more
6W35 · A new autotaxin inhibitor for the treatment of idiopathic pulmonary fibrosis: a clinical… · SKV A909 · binds LEU79, SER82, TYR83, ILE168, SER170, PHE211, LEU214, TYR215 and 11 more

Residues it binds most

PHE 2, LEU 2, ALA 2, SER 2, TRP 2, TYR 2, HIS 2, ILE 2, LYS 2, VAL 2 (residue and the binding sites it lines).

Found with

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

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