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Ligand · D5N

D5N · (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

D5N, (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol (C22 H29 F2 N3 O4, 437.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
D5N
Formula
C22 H29 F2 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

D5N in 2 structures; the first of them:

  • 6FDC · Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a · D5N B605 · binds TYR325, HIS326, MET439, ASN487, PRO488, TYR495, TRP498, THR499 and 8 more
  • 6FDC · Crystal structure of the PDE4D catalytic domain in complex with gebr- 32A · D5N B605 · binds TYR325, HIS326, MET439, ASN487, PRO488, TYR495, TRP498, THR499 and 8 more

Residues it binds most

MET 2, ILE 2, PHE 2, TYR 2, ASN 2, GLN 2, HIS 2, PRO 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • DD5 · (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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