GL1X · GenesisL1 explorer

Ligand · 9QN

9QN · (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

9QN, (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one (C21 H23 Cl2 N3 O4 S, 484.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4…

Component
9QN
Formula
C21 H23 Cl2 N3 O4 S
Class
ligand
Structures
5
PDB entries
4

Binding sites

9QN in 5 structures; the first of them:

  • 5OBK · The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(h… · 9QN A201 · binds TYR57, PHE67, ASP68, PHE77, GLN85, VAL86, ILE87, TRP90 and 6 more
  • 8BAJ · Structure of the FK1 domain of the FKBP51 G64S variant in complex with… · 9QN A201 · binds TYR47, PHE57, ASP58, PHE67, GLN75, VAL76, ILE77, TRP80 and 5 more
  • 8BJD · Full length structure of LpMIP with bound inhibitor JK095 · 9QN A301 · binds TYR131, PHE141, ASP142, PHE153, GLN157, VAL158, ILE159, TRP162 and 5 more
  • 8BK5 · A structure of the truncated LpMIP with bound inhibitor JK095. · 9QN A201 · binds TYR54, PHE64, ASP65, PHE76, GLN80, VAL81, ILE82, TRP85 and 5 more
  • 5OBK · The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5… · 9QN A201 · binds TYR57, PHE67, ASP68, PHE77, GLN85, VAL86, ILE87, TRP90 and 6 more

Residues it binds most

PHE 5, ILE 5, TYR 5, ASP 5, GLN 5, TRP 5, VAL 5, LEU 3, LYS 3, SER 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • ZN · Zinc ion
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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