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Ligand · X3V

X3V · 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide

X3V, 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide (C18 H16 Cl N5 O3 S, 417.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
X3V
Formula
C18 H16 Cl N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X3V in 2 structures; the first of them:

  • 7KSK · Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and… · X3V A1101 · binds ILE70, VAL78, ALA91, LYS93, ILE124, LEU126, LEU144, VAL145 and 9 more
  • 7KSK · Thiophenyl-pyrazolourea derivatives as potent, brian penetrant, orally bioavailable, and… · X3V A1101 · binds ILE70, VAL78, ALA91, LYS93, ILE124, LEU126, LEU144, VAL145 and 9 more

Residues it binds most

LEU 2, VAL 2, ALA 2, ILE 2, MET 2, ASN 2, ASP 2, GLU 2, LYS 2 (residue and the binding sites it lines).

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