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Ligand · CPD

CPD · [1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester

CPD, [1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester (C28 H36 Cl2 F3 N6 O8 P, 743.5 g/mol), in the MolNFT structures…

Component
CPD
Formula
C28 H36 Cl2 F3 N6 O8 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

CPD in 4 structures; the first of them:

  • 2DQT · High resolution crystal structure of the complex of the hydrolytic antibody Fab 6D9 and a… · CPD H501 · binds HIS27D, SER27E, ASN28, PHE89, GLY91, SER92, VAL94, PRO96 and 14 more
  • 2DQU · Crystal form II: high resolution crystal structure of the complex of the hydrolytic… · CPD H501 · binds HIS27D, SER27E, PHE89, GLY91, SER92, VAL94, PRO96, ALA33 and 13 more
  • 2DQT · High resolution crystal structure of the complex of the hydrolytic antibody Fab 6D9 and a… · CPD H501 · binds HIS27D, SER27E, ASN28, PHE89, GLY91, SER92, VAL94, PRO96 and 14 more
  • 2DQU · Crystal form II: high resolution crystal structure of the complex of the hydrolytic… · CPD H501 · binds HIS27D, SER27E, PHE89, GLY91, SER92, VAL94, PRO96, ALA33 and 13 more

Residues it binds most

SER 4, GLY 4, HIS 4, PHE 4, TRP 4, VAL 4, ALA 4, ASP 4, ILE 4, PRO 4 (residue and the binding sites it lines).

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