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Ligand · 7HF

7HF · 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea

7HF, 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea (C26 H31 F2 N5 O3, 499.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
7HF
Formula
C26 H31 F2 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

7HF in 2 structures; the first of them:

  • 5H3Q · Crystal Structure of TrkA kinase with ligand · 7HF A1001 · binds LEU486, GLN487, GLY488, HIS489, ILE490, ASN493, PHE521, LYS544 and 17 more
  • 5H3Q · Crystal structure of trka kinase with ligand · 7HF A1001 · binds LEU486, GLN487, GLY488, HIS489, ILE490, ASN493, PHE521, LYS544 and 17 more

Residues it binds most

LEU 2, PHE 2, GLY 2, HIS 2, ILE 2, VAL 2, ARG 2, ASN 2, ASP 2, GLN 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane

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