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Ligand · 9FI

9FI · ~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl) cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide

9FI, ~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl) cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide (C33 H41 N5 O2, 539.7 g/mol), in the MolNFT structures on GenesisL1…

Component
9FI
Formula
C33 H41 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9FI in 2 structures; the first of them:

  • 7WIG · Cryo-EM structure of the L-054,264-bound human SSTR2-Gi1 complex · 9FI R401 · binds MET119, ASP122, GLN126, PHE127, THR194, TYR205, THR212, PHE272 and 11 more
  • 7WIG · Cryo-EM structure of the L-054,264-bound human SSTR2-GI1 complex · 9FI R401 · binds ASP122, GLN126, PHE272, PHE275, ASN276, SER279, LEU290, PHE294 and 1 more

Residues it binds most

PHE 2, SER 2, TYR 2, ASN 2, ASP 2, GLN 2, LEU 2, THR 1, ILE 1, LYS 1 (residue and the binding sites it lines).

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