GL1X · GenesisL1 explorer

Ligand · 7TR

7TR · 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate

7TR, 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate (C34 H38 N6 O5 S, 642.8 g/mol), in the MolNFT structures on GenesisL1…

Component
7TR
Formula
C34 H38 N6 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

7TR in 4 structures; the first of them:

  • 4GTR · FTase in complex with BMS analogue 13 · 7TR B502 · binds TYR93, CYS95, LEU96, TRP102, TYR105, TRP106, ALA151, TYR154 and 10 more
  • 4GTV · Engineered RabGGTase in complex with BMS analogue 13 · 7TR B403 · binds ASP61, TYR44, LEU45, TRP52, LEU96, LEU99, ARG144, PHE147 and 11 more
  • 4GTR · Ftase in complex with bms analogue 13 · 7TR B502 · binds TYR93, CYS95, LEU96, TRP102, TYR105, TRP106, ALA151, TYR154 and 10 more
  • 4GTV · Engineered rabggtase in complex with bms analogue 13 · 7TR B403 · binds ASP61, TYR44, LEU45, TRP52, LEU96, LEU99, ARG144, PHE147 and 11 more

Residues it binds most

TYR 4, ASP 4, CYS 4, TRP 4, LEU 4, PHE 4, ALA 2, HIS 4, ARG 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • FPP · Farnesyl diphosphate
  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide

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