Ligand · Y2D

Y2D · 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one

Y2D, 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one (C22 H20 F3 N5 O2, 443.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: Y2D
Formula: C22 H20 F3 N5 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

Y2D in 2 structures; the first of them:

7LI5 · Crystal Structure Analysis of human TEAD1 · Y2D A501 · binds PHE221, ALA223, PHE239, VAL240, PHE290, ALA292, LEU294, VAL308 and 18 more
7LI5 · Crystal structure analysis of human TEAD1 · Y2D A501 · binds PHE221, ALA223, PHE239, ALA292, LEU294, VAL308, TYR312, THR324 and 10 more

Residues it binds most

PHE 4, LEU 4, MET 4, VAL 4, ALA 4, ILE 4, CYS 4, THR 4, TYR 4, LYS 2 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion

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