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Ligand · 0C3

0C3 · 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid

0C3, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid (C18 H13 F3 N4 O2, 374.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
0C3
Formula
C18 H13 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0C3 in 2 structures; the first of them:

  • 3UOD · Aurora A in complex with RPM1693 · 0C3 A1 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, GLU211, TYR212 and 10 more
  • 3UOD · Aurora a in complex with RPM1693 · 0C3 A1 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, GLU211, TYR212 and 10 more

Residues it binds most

ALA 2, LEU 2, ARG 2, GLU 2, GLY 2, ASN 2, ASP 2, PRO 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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