MolNFT v1 · #180209 · protein
Thiophenyl-pyrazolourea derivatives as potent, brian penetrant, orally bioavailable, and isoform-selective JNK3 inhibitors
7KSJ: “Thiophenyl-pyrazolourea derivatives as potent, brian penetrant, orally bioavailable, and isoform-selective…”. X-ray diffraction, 1 ligand (X3Y). MolNFT v1 #180209 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KSJ
- Type
- protein
- Length
- 346 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P53779
- Ligands
- X3Y
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 346 | — | P53779 |
Ligands and binding sites
- X3Y · 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7KSJ · Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and… · 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 P53779
- Elsewhere: RCSB PDB 7KSJ · PDBe 7KSJ · UniProt P53779
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