GL1X · GenesisL1 explorer

Ligand · V1G

V1G · (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide

V1G, (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide (C28 H27 F2 N5 O4, 535.5 g/mol), in the MolNFT structures on…

Component
V1G
Formula
C28 H27 F2 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

V1G in 2 structures; the first of them:

  • 6XE4 · BTK Fluorocyclopropyl amide inhibitor, Compound 25 · V1G A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 18 more
  • 6XE4 · Btk fluorocyclopropyl amide inhibitor, compound 25 · V1G A701 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 18 more

Residues it binds most

GLY 2, LEU 2, VAL 2, ALA 2, ASN 2, ASP 2, SER 2, THR 2, TYR 2, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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