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Ligand · Y3S

Y3S · (2R)-4-(3-fluorothiophene-2-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

Y3S, (2R)-4-(3-fluorothiophene-2-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (C18 H20 F N3 O3 S, 377.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component
Y3S
Formula
C18 H20 F N3 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

Y3S in 2 structures; the first of them:

  • 8BW4 · PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic… · Y3S A1501 · binds PRO1340, PHE1341, GLN1343, VAL1345, TYR1350, TYR1353, MET1361, ASP1362 and 5 more
  • 5S9I · Pandda analysis group deposition -- crystal structure of phip in complex with Z198194396… · Y3S A1501 · binds PRO1340, PHE1341, GLN1343, VAL1345, TYR1350, TYR1353, MET1361, ASP1362 and 3 more

Residues it binds most

TYR 2, ILE 2, ASP 2, GLN 2, MET 2, PHE 2, PRO 2, SER 2, VAL 2, ASN 1 (residue and the binding sites it lines).

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