Ligand · PQB
PQB · [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2R)-2,3-dihydroxypropyl]oxy}phenyl)methanone
PQB, [5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2R)-2,3-dihydroxypropyl]oxy}phenyl)methanone (C19 H18 F N3 O4, 371.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…
- Component
- PQB
- Formula
- C19 H18 F N3 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
PQB in 4 structures; the first of them:
- 2BAQ · p38alpha bound to Ro3201195 · PQB A401 · binds ILE30, VAL38, ALA40, ALA51, LYS53, GLU71, LEU75, ILE84 and 12 more
- 2GFS · P38 Kinase Crystal Structure in complex with RO3201195 · PQB A361 · binds VAL30, TYR35, ARG49, ALA51, LYS53, GLU71, LEU75, ILE84 and 11 more
- 2BAQ · P38ALPHA bound to RO3201195 · PQB A401 · binds ILE30, VAL38, ALA40, ALA51, LYS53, GLU71, LEU75, ILE84 and 12 more
- 2GFS · P38 kinase crystal structure in complex with RO3201195 · PQB A361 · binds VAL30, TYR35, ARG49, ALA51, LYS53, GLU71, LEU75, ILE84 and 11 more
Residues it binds most
LEU 4, ALA 4, ASP 4, ILE 4, GLU 4, GLY 4, HIS 4, LYS 4, MET 4, THR 4 (residue and the binding sites it lines).
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