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Ligand · X3Y

X3Y · 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide

X3Y, 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide (C18 H15 Cl F N5 O3 S, 435.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
X3Y
Formula
C18 H15 Cl F N5 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

X3Y in 1 structure; the first of them:

  • 7KSJ · Thiophenyl-pyrazolourea derivatives as potent, brian penetrant, orally bioavailable, and… · X3Y A1101 · binds ILE70, VAL78, ALA91, ILE92, LYS93, ILE124, LEU144, MET146 and 7 more

Residues it binds most

ILE 1, LEU 1, ALA 1, MET 1, VAL 1, ASP 1, GLU 1, LYS 1 (residue and the binding sites it lines).

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