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Ligand · 0SR

0SR · 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea

0SR, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea (C22 H33 N5 O2, 399.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
0SR
Formula
C22 H33 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0SR in 2 structures; the first of them:

  • 4F6U · Crystal structure of human CDK8/CYCC in complex with compound 5… · 0SR A501 · binds TYR32, VAL35, ALA50, LYS52, SER62, ARG65, GLU66, LEU70 and 15 more
  • 4F6U · Crystal structure of human CDK8/CYCC in complex with compound 5 (1-[3… · 0SR A501 · binds TYR32, VAL35, ALA50, LYS52, SER62, ARG65, GLU66, LEU70 and 15 more

Residues it binds most

LEU 2, ALA 2, ARG 2, ASP 2, ILE 2, TYR 2, VAL 2, GLU 2, HIS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • FMT · Formic acid

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