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Ligand · X3S

X3S · 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide

X3S, 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide (C19 H17 Cl F N5 O3 S, 449.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
X3S
Formula
C19 H17 Cl F N5 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

X3S in 1 structure; the first of them:

  • 7KSI · Thiophenyl-pyrazolourea derivatives as potent, brian penetrant, orally bioavailable, and… · X3S A1101 · binds ILE70, VAL78, ALA91, ILE92, LYS93, ILE124, LEU126, LEU144 and 9 more

Residues it binds most

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

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