Ligand · 626
626 · 4-(4-methylpiperazin-1-yl)-N-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
626, 4-(4-methylpiperazin-1-yl)-N-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide (C23 H24 N6 O2 S, 448.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…
- Component
- 626
- Formula
- C23 H24 N6 O2 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
626 in 4 structures; the first of them:
- 2J4Z · Structure of Aurora-2 in complex with PHA-680626 · 626 A1389 · binds LEU139, VAL147, ALA160, LYS162, LEU194, LEU210, GLU211, TYR212 and 12 more
- 2OWB · Structure of the Catalytic Domain of Human Polo-like Kinase 1 · 626 A500 · binds ARG57, PHE58, LEU59, GLY60, LYS61, GLY62, ALA65, LYS66 and 12 more
- 2J4Z · Structure of aurora-2 in complex with pha-680626 · 626 A1389 · binds LEU139, VAL147, ALA160, LYS162, LEU194, LEU210, GLU211, TYR212 and 12 more
- 2OWB · Structure of the catalytic domain of human polo-like kinase 1 · 626 A500 · binds ARG57, PHE58, LEU59, GLY60, LYS61, GLY62, ALA65, LYS66 and 12 more
Residues it binds most
LEU 6, ALA 6, ARG 6, GLU 6, LYS 6, VAL 6, GLY 6, ASN 4, CYS 2, HIS 4 (residue and the binding sites it lines).
Found with
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