Ligand · XK2
XK2 · [4R-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
XK2, [4R-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one (C41 H38 N2 O3, 606.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- XK2
- Formula
- C41 H38 N2 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
XK2 in 2 structures; the first of them:
- 1HVR · Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease… · XK2 A263 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
- 1HVR · Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease… · XK2 A263 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
Residues it binds most
ASP 2, GLY 2, ILE 2, VAL 2, LEU 2, ALA 2, ARG 2, PRO 2 (residue and the binding sites it lines).
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