Ligand · 0WH

0WH · 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

0WH, 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (C24 H20 F3 N5 O, 451.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component: 0WH
Formula: C24 H20 F3 N5 O
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

0WH in 1 structure; the first of them:

4G31 · Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A… · 0WH A1102 · binds LEU598, VAL606, ALA619, LYS621, VAL639, LEU642, ALA643, ILE650 and 12 more

Residues it binds most

LEU 1, VAL 1, ALA 1, ILE 1, PHE 1, ASP 1, CYS 1, GLN 1, GLY 1, LYS 1 (residue and the binding sites it lines).

Found with

GOL · Glycerol

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