GL1X · GenesisL1 explorer

Ligand · 5ZP

5ZP · (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide

5ZP, (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide (C31 H33 N5 O2, 507.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
5ZP
Formula
C31 H33 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

5ZP in 2 structures; the first of them:

  • 7VBX · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 · 5ZP A505 · binds LEU252, ASN255, ALA256, ARG258, ALA259, GLU262, MET288, ASP290 and 11 more
  • 7VBX · Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 · 5ZP A505 · binds LEU252, ASN255, ALA256, ARG258, ALA259, GLU262, MET288, ASP290 and 11 more

Residues it binds most

LEU 2, ALA 2, ARG 2, ASP 2, GLY 2, ASN 2, GLU 2, LYS 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide

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