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MolNFT v1 · #138002 · protein

Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.

5W5O: “Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.”. X-ray diffraction, 1 ligand (9XA). MolNFT v1 #138002 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5W5O
Type
protein
Length
4,399 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O43353
Ligands
9XA

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, P—protein275—O43353
M—protein276—O43353
N—protein272—O43353
O—protein276—O43353

Ligands and binding sites

  • 9XA · 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine · ligand · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 5W5O · Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory… · the same entry in another collection · chain P against P, TM-score 1.00

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