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Ligand · UJA

UJA · (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl) methyl]piperazine-2-carboxamide

UJA, (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl) methyl]piperazine-2-carboxamide (C32 H42 Cl N5 O3 S, 612.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
UJA
Formula
C32 H42 Cl N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

UJA in 2 structures; the first of them:

  • 6X0S · Structure of human plasma factor XIIa in complex with… · UJA A701 · binds SER395, PHE396, CYS397, HIS412, CYS413, PRO455, VAL456, TYR458 and 12 more
  • 6X0S · Structure of human plasma factor xiia in complex with (2S)-4-(5… · UJA A701 · binds SER395, PHE396, CYS397, HIS412, VAL456, TYR458, GLU510, ALA558 and 9 more

Residues it binds most

CYS 6, SER 6, GLY 6, TYR 6, ALA 6, GLN 6, HIS 6, ILE 6, PHE 6, TRP 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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