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Ligand · VRJ

VRJ · N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide

VRJ, N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide (C26 H27 F N2 O5 S, 498.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VRJ
Formula
C26 H27 F N2 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VRJ in 2 structures; the first of them:

  • 7K15 · Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective… · VRJ A2101 · binds LEU25, VAL67, PHE74, PHE77, LEU78, HIS94, CYS97, MET101 and 11 more
  • 7K15 · Crystal structure of the human leukotriene B4 receptor 1 in complex with selective… · VRJ A2101 · binds VAL67, PHE74, PHE77, LEU78, HIS94, CYS97, MET101, ARG156 and 10 more

Residues it binds most

PHE 2, ARG 2, CYS 2, LEU 2, ALA 2, ASN 2, HIS 2, ILE 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • OLA · Oleic acid
  • NA · Sodium ion
  • 1PE · Pentaethylene glycol
  • 2PE · Nonaethylene glycol
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • P6G · Hexaethylene glycol

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