MolNFT v2 · #157636 · protein
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
6M95: “Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP…”. X-ray diffraction at 1.8, 1 ligand (J8S). MolNFT v2 #157636 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6M95
- Type
- protein
- Length
- 333 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Homo sapiens
- UniProt
- Q16539
- Ligands
- J8S
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 333 | — | Q16539 |
Ligands and binding sites
- J8S · (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl) phenyl]methanone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6M95 · Structure-based design, synthesis, and biological evaluation of… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q16539
- Elsewhere: RCSB PDB 6M95 · PDBe 6M95 · UniProt Q16539
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