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Ligand · L00

L00 · (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine

L00, (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine (C26 H35 Cl N6 O4 S, 563.1 g/mol), in the MolNFT structures…

Component
L00
Formula
C26 H35 Cl N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

L00 in 2 structures; the first of them:

  • 2NTR · Crystal structure of Human Bace-1 bound to inhibitor · L00 A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 15 more
  • 2NTR · Crystal structure of human bace-1 bound to inhibitor · L00 A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 15 more

Residues it binds most

GLY 2, SER 2, THR 2, ASP 2, GLN 2, ILE 2, ARG 2, ASN 2, LEU 2, PHE 2 (residue and the binding sites it lines).

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