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Ligand · P7C

P7C · 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea

P7C, 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea (C25 H33 Cl2 N5 O3 S, 554.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
P7C
Formula
C25 H33 Cl2 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

P7C in 2 structures; the first of them:

  • 3P7C · p38 inhibitor-bound · P7C A362 · binds VAL38, ALA51, VAL52, LYS53, ARG67, ARG70, GLU71, LEU74 and 15 more
  • 3P7C · P38 inhibitor-bound · P7C A362 · binds VAL38, ALA51, VAL52, LYS53, ARG67, ARG70, GLU71, LEU74 and 15 more

Residues it binds most

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

Found with

  • BOG · octyl beta-D-glucopyranoside

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