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Ligand · YDW

YDW · ~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide

YDW, ~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide (C22 H17 F3 N4 O2, 426.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
YDW
Formula
C22 H17 F3 N4 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

YDW in 1 structure; the first of them:

  • 8X8X · Crystal structure of ROCK2 with GNS-2591 inhibitor · YDW A501 · binds ILE98, ARG100, GLY101, ALA102, PHE103, GLY104, GLU105, VAL106 and 14 more

Residues it binds most

ALA 2, GLU 2, PHE 2, GLY 2, LEU 2, MET 2, VAL 2, ARG 2, ASP 2, ILE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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