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Ligand · NRV

NRV · N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5, 6-b]indol-3-yl)sulfanyl]ethan-1-amine

NRV, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5, 6-b]indol-3-yl)sulfanyl]ethan-1-amine (C16 H20 F N5 S, 333.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
NRV
Formula
C16 H20 F N5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NRV in 2 structures; the first of them:

  • 6P3V · Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 · NRV A501 · binds TRP13, ASP26, PHE27, ALA33, TRP36, ARG37, VAL40, LEU63 and 5 more
  • 6P3V · Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT416 · NRV A501 · binds TRP13, ASP26, PHE27, ALA33, TRP36, ARG37, VAL40, LEU63 and 5 more

Residues it binds most

PHE 2, TRP 2, ALA 2, ARG 2, ASP 2, GLU 2, LEU 2, MET 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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