Ligand · XBD
XBD · 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
XBD, 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one (C26 H28 F3 N7 O2, 527.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…
- Component
- XBD
- Formula
- C26 H28 F3 N7 O2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
XBD in 2 structures; the first of them:
- 7KXW · Crystal structure of DCLK1-KD in complex with DCLK1-IN-1 · XBD A701 · binds VAL404, ALA417, LYS419, VAL449, MET465, GLU466, LEU467, VAL468 and 9 more
- 7KXW · Crystal structure of DCLK1-kd in complex with DCLK1-in-1 · XBD A701 · binds VAL404, ALA417, VAL449, MET465, GLU466, LEU467, VAL468, LYS469 and 6 more
Residues it binds most
VAL 4, ASP 4, GLU 4, GLY 4, LEU 4, LYS 4, ALA 4, MET 4, ASN 3, ILE 1 (residue and the binding sites it lines).
Found with
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