Ligand · GR3

GR3 · 3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

GR3, 3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid (C32 H46 O7, 542.7 g/mol), in the MolNFT structures…

Component: GR3
Formula: C32 H46 O7
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

GR3 in 2 structures; the first of them:

1AWH · Novel covalent thrombin inhibitor from plant extract · GR3 B1 · binds HIS57, TYR60A, TRP60D, LYS60F, LEU99, TRP148, ILE174, ASP189 and 14 more
1AWH · Novel covalent thrombin inhibitor from plant extract · GR3 B1 · binds HIS57, TYR60A, TRP60D, LYS60F, LEU99, TRP148, ILE174, ASP189 and 14 more

Residues it binds most

GLY 4, TRP 4, ASP 4, CYS 4, GLU 4, SER 4, TYR 4, ALA 4, HIS 4, LEU 4 (residue and the binding sites it lines).

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