Ligand · 05B
05B · 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
05B, 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one (C22 H21 N5 O3, 403.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…
- Component
- 05B
- Formula
- C22 H21 N5 O3
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
05B in 4 structures; the first of them:
- 3R1N · MK3 kinase bound to Compound 5b · 05B A1 · binds LEU50, GLY51, LEU52, GLY53, VAL58, ALA71, LYS73, MET118 and 10 more
- 3R2B · MK2 kinase bound to Compound 5b · 05B A1000 · binds LEU70, GLY71, LEU72, VAL78, GLN80, ALA91, LYS93, VAL118 and 10 more
- 3R1N · MK3 kinase bound to compound 5B · 05B A1 · binds LEU50, GLY51, LEU52, GLY53, VAL58, ALA71, LYS73, MET118 and 10 more
- 3R2B · MK2 kinase bound to compound 5B · 05B A1000 · binds LEU70, GLY71, LEU72, VAL78, GLN80, ALA91, LYS93, VAL118 and 10 more
Residues it binds most
LEU 6, GLU 6, GLY 6, ASP 6, MET 6, VAL 6, ALA 6, ASN 6, CYS 6, LYS 6 (residue and the binding sites it lines).
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