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Ligand · 0ST

0ST · 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea

0ST, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea (C21 H31 N5 O2, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
0ST
Formula
C21 H31 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0ST in 2 structures; the first of them:

  • 4F70 · Crystal structure of human CDK8/CYCC in complex with compound 4… · 0ST A501 · binds VAL35, LYS52, SER62, ARG65, GLU66, LEU70, LEU73, VAL78 and 9 more
  • 4F70 · Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3… · 0ST A501 · binds VAL35, LYS52, SER62, ARG65, GLU66, LEU70, LEU73, VAL78 and 9 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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