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Ligand · XNR

XNR · N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide

XNR, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide (C25 H31 F2 N3 O3 S, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
XNR
Formula
C25 H31 F2 N3 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XNR in 1 structure; the first of them:

  • 8FB1 · HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX… · XNR A601 · binds CYS320, HIS323, LEU324, MET365, ALA368, VAL376, PHE377, PHE378 and 7 more

Residues it binds most

PHE 2, LEU 2, HIS 2, ILE 2, ALA 2, CYS 2, MET 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • 4Y5 · 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid

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