Ligand · MRK

MRK · 2-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide

MRK, 2-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide (C14 H12 F N5 O S2, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component: MRK
Formula: C14 H12 F N5 O S2
Class: ligand
Structures: 6
PDB entries: 3

Binding sites

MRK in 6 structures; the first of them:

1V4S · Crystal structure of human glucokinase · MRK A501 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, GLN98, ILE159 and 12 more
3F9M · Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap · MRK A501 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, ILE159, MET210 and 11 more
3ID8 · Ternary complex of human pancreatic glucokinase crystallized with activator, glucose and… · MRK A501 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, ILE159, MET210 and 10 more
1V4S · Crystal structure of human glucokinase · MRK A501 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, GLN98, ILE159 and 12 more
3F9M · Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap · MRK A501 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, ILE159, MET210 and 11 more
3ID8 · Ternary complex of human pancreatic glucokinase crystallized with activator, glucose and… · MRK A501 · binds TYR61, VAL62, ARG63, SER64, THR65, PRO66, ILE159, MET210 and 10 more

Residues it binds most

TYR 6, VAL 6, ILE 6, MET 6, ALA 6, ARG 6, CYS 6, GLU 6, LEU 6, PRO 6 (residue and the binding sites it lines).

Found with

GLC · alpha-D-glucopyranose
ANP · Phosphoaminophosphonic acid-adenylate ester
K · Potassium ion
MG · Magnesium ion
NA · Sodium ion

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