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Ligand · Q8B

Q8B · N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15, 19,21,23-hexazatetracyclo[15.6.1.13,7.020, 24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide

Q8B, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15, 19,21,23-hexazatetracyclo[15.6.1.13,7.020, 24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide (C27 H35 N7 O4, 521.6 g/mol), in the MolNFT structures on…

Component
Q8B
Formula
C27 H35 N7 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

Q8B in 2 structures; the first of them:

  • 6Z51 · Crystal structure of CLK3 in complex with macrocycle ODS2002941 · Q8B A519 · binds ASN161, LEU162, GLY163, GLU164, PHE167, VAL170, ALA184, VAL220 and 10 more
  • 6Z5A · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 · Q8B A807 · binds ILE490, GLY491, GLU492, PHE495, VAL498, ALA509, LYS511, ILE513 and 16 more

Residues it binds most

GLU 2, ILE 1, LEU 2, PHE 2, ASN 2, GLY 2, VAL 2, ALA 2, ASP 2, LYS 1 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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