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Ligand · B87

B87 · 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine

B87, 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine (C22 H25 N5 O S, 407.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
B87
Formula
C22 H25 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B87 in 2 structures; the first of them:

  • 3IPY · X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor · B87 A263 · binds ILE30, GLU53, VAL55, TYR86, PHE96, GLN97, ALA100, ARG104 and 9 more
  • 3IPY · X-ray structure of human deoxycytidine kinase in complex with an inhibitor · B87 A263 · binds ILE30, GLU53, VAL55, TYR86, PHE96, GLN97, ALA100, ARG104 and 9 more

Residues it binds most

GLU 8, TYR 8, PHE 8, ARG 4, ILE 4, LEU 4, PRO 8, ALA 4, ASN 4, ASP 4 (residue and the binding sites it lines).

Found with

  • MLT · D-malate

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