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Ligand · MDI

MDI · 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide

MDI, 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide (C27 H26 F2 N4 O, 460.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3…

Component
MDI
Formula
C27 H26 F2 N4 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

MDI in 3 structures; the first of them:

  • 8AN8 · Crystal structure of wild-type c-MET bound by compound 7. · MDI A1405 · binds ILE1084, PHE1089, VAL1092, ALA1108, LYS1110, GLU1120, VAL1121, SER1122 and 12 more
  • 8ANS · Crystal structure of D1228V c-MET bound by compound 1. · MDI A1402 · binds ILE1084, GLY1085, PHE1089, VAL1092, ALA1108, LYS1110, GLU1120, VAL1121 and 13 more
  • 8ANS · Crystal structure of D1228V C-met bound by compound 1. · MDI A1402 · binds ILE1084, PHE1089, VAL1092, ALA1108, LYS1110, GLU1120, VAL1121, SER1122 and 9 more

Residues it binds most

LEU 4, VAL 4, GLY 4, MET 4, PHE 4, ALA 4, ASP 4, GLU 4, ILE 4, LYS 4 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • SO4 · Sulfate ion

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