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Ligand · 9R0

9R0 · 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid

9R0, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid (C28 H25 Cl2 N3 O4 S, 570.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2…

Component
9R0
Formula
C28 H25 Cl2 N3 O4 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

9R0 in 3 structures; the first of them:

  • 6A5Y · Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1 · 9R0 A501 · binds MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290, ALA291 and 15 more
  • 6A5W · Fxr-lbd with HNC143 and SRC1 · 9R0 A501 · binds MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290, ALA291 and 16 more
  • 6A5Y · Crystal structure of human FXR/RXR-lbd heterodimer bound to HNC143 and 9CRA and SRC1 · 9R0 A501 · binds MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290, ALA291 and 15 more

Residues it binds most

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

Found with

  • 9CR · (9cis)-retinoic acid
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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