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Ligand · 7TQ

7TQ · 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 benzylcarbamate

7TQ, 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 benzylcarbamate (C37 H36 N6 O5 S, 676.8 g/mol), in the MolNFT structures on GenesisL1…

Component
7TQ
Formula
C37 H36 N6 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

7TQ in 4 structures; the first of them:

  • 4GTQ · FTase in complex with BMS analogue 12 · 7TQ B503 · binds TYR131, TYR93, CYS95, LEU96, ALA98, SER99, TRP102, TRP106 and 12 more
  • 4GTT · Engineered RabGGTase in complex with BMS analogue 12 · 7TQ B403 · binds ASP61, TYR44, LEU45, TYR51, TRP52, LEU96, LEU99, GLN103 and 14 more
  • 4GTQ · Ftase in complex with bms analogue 12 · 7TQ B503 · binds TYR131, TYR93, CYS95, LEU96, ALA98, SER99, TRP102, TRP106 and 12 more
  • 4GTT · Engineered rabggtase in complex with bms analogue 12 · 7TQ B403 · binds ASP61, TYR44, LEU45, TYR51, TRP52, LEU96, LEU99, GLN103 and 14 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • FPP · Farnesyl diphosphate
  • CA · Calcium ion

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