GL1X · GenesisL1 explorer

Ligand · ITD

ITD · (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate

ITD, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate (C21 H34 N4 S2, 406.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its…

Component
ITD
Formula
C21 H34 N4 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

ITD in 8 structures; the first of them:

  • 3ODU · The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule… · ITD A1500 · binds GLU32, TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116 and 6 more
  • 3OE6 · Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule… · ITD A1500 · binds TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116, ARG183 and 4 more
  • 3OE8 · Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule… · ITD A1500 · binds TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116, CYS186 and 4 more
  • 3OE9 · Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule… · ITD A1500 · binds LYS38, TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116 and 6 more
  • 3ODU · The 2.5 a structure of the CXCR4 chemokine receptor in complex with small molecule… · ITD A1500 · binds GLU32, TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116 and 6 more
  • 3OE6 · Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule… · ITD A1500 · binds TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116, ARG183 and 4 more
  • 3OE8 · Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule… · ITD A1500 · binds TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116, CYS186 and 4 more
  • 3OE9 · Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule… · ITD A1500 · binds LYS38, TRP94, ASP97, ALA98, TRP102, VAL112, HIS113, TYR116 and 6 more

Residues it binds most

ASP 16, TRP 16, ARG 16, GLU 16, TYR 16, CYS 16, ALA 14, HIS 14, ILE 14, VAL 14 (residue and the binding sites it lines).

Found with

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • OLA · Oleic acid
  • GOL · Glycerol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.