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Ligand · 1ND

1ND · 1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

1ND, 1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (C19 H20 F3 N3 O, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1ND
Formula
C19 H20 F3 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1ND in 2 structures; the first of them:

  • 2XX7 · Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetr… · 1ND A310 · binds LYS104, PRO105, PHE106, MET107, SER108, SER217, LYS218, GLY219 and 13 more
  • 2XX7 · Crystal structure of 1-(4-(1-PYRROLIDINYLCARBONYL)PHENYL)-3… · 1ND A310 · binds LYS104, PRO105, PHE106, MET107, SER108, SER217, LYS218, GLY219 and 13 more

Residues it binds most

SER 4, LEU 4, LYS 4, GLY 4, MET 4, PHE 4, PRO 4, ILE 2 (residue and the binding sites it lines).

Found with

  • GLU · Glutamic acid
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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