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Ligand · 9R3

9R3 · 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid

9R3, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid (C29 H27 Cl2 N3 O4 S, 584.5 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
9R3
Formula
C29 H27 Cl2 N3 O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

9R3 in 2 structures; the first of them:

  • 6A5X · FXR-LBD with HNC180 and SRC1 · 9R3 A505 · binds ARG264, MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290 and 19 more
  • 6A5X · Fxr-lbd with HNC180 and SRC1 · 9R3 A505 · binds ARG264, MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290 and 16 more
  • 6A5Z · Crystal structure of human FXR/RXR-lbd heterodimer bound to HNC180 and 9CRA and SRC1 · 9R3 A501 · binds MET265, PHE284, THR288, MET290, ALA291, HIS294, MET328, PHE329 and 10 more

Residues it binds most

MET 4, PHE 4, ILE 4, HIS 4, TRP 4, LEU 4, SER 4, THR 4, ARG 3, ALA 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • 9CR · (9cis)-retinoic acid

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