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Ligand · CDA

CDA · 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide

CDA, 2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide (C20 H19 F3 N6 O2, 432.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
CDA
Formula
C20 H19 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

CDA in 2 structures; the first of them:

  • 1MU6 · Crystal Structure of Thrombin in Complex with L-378,622 · CDA B248 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 11 more
  • 1MU6 · Crystal structure of thrombin in complex with L-378,622 · CDA B248 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 11 more

Residues it binds most

GLU 2, CYS 2, GLY 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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