Ligand · 52P

52P · 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one

52P, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one (C19 H9 Cl2 F2 N3 O S, 436.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component: 52P
Formula: C19 H9 Cl2 F2 N3 O S
Class: ligand
Structures: 6
PDB entries: 3

Binding sites

52P in 6 structures; the first of them:

3FC1 · Crystal structure of p38 kinase bound to pyrimido-pyridazi inhibitor · 52P X362 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 14 more
3HP5 · Crystal Structure of Human p38alpha complexed with a pyrimidopyridazi compound · 52P A401 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 14 more
3ZSI · X-ray structure of p38alpha bound to VX-745 · 52P A1000 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 16 more
3FC1 · Crystal structure of P38 kinase bound to pyrimido-pyridazinone inhibitor · 52P X362 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 14 more
3HP5 · Crystal structure of human P38ALPHA complexed with a pyrimidopyridazinone compound · 52P A401 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 14 more
3ZSI · X-ray structure of P38ALPHA bound to vx-745 · 52P A1000 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 16 more

Residues it binds most

LEU 6, VAL 6, ALA 6, GLY 6, ASP 6, ASN 6, HIS 6, ILE 6, LYS 6, MET 6 (residue and the binding sites it lines).

Found with

I46 · 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
CL · Chloride ion
BOG · octyl beta-D-glucopyranoside

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.