GL1X · GenesisL1 explorer

Ligand · 0SS

0SS · N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide

0SS, N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide (C36 H49 N9 O2, 639.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
0SS
Formula
C36 H49 N9 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0SS in 2 structures; the first of them:

  • 4F6W · Crystal structure of human CDK8/CYCC in complex with compound 1… · 0SS A501 · binds VAL27, TYR32, VAL35, ALA50, LYS52, SER62, ARG65, GLU66 and 22 more
  • 4F6W · Crystal structure of human CDK8/CYCC in complex with compound 1 (N-[3… · 0SS A501 · binds VAL27, TYR32, VAL35, ALA50, LYS52, SER62, ARG65, GLU66 and 22 more

Residues it binds most

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

Found with

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

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