Ligand · GI9

GI9 · tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate

GI9, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate (C35 H47 N7 O5, 645.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: GI9
Formula: C35 H47 N7 O5
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

GI9 in 2 structures; the first of them:

7XN9 · Crystal structure of SSTR2 and L-054,522 complex · GI9 A1202 · binds TYR50, PHE92, LEU99, GLN102, VAL103, MET119, ASP122, GLN126 and 21 more
7XN9 · Crystal structure of SSTR2 and L-054,522 complex · GI9 A1202 · binds TYR50, PHE92, GLN102, VAL103, ASP122, GLN126, THR194, ILE195 and 15 more

Residues it binds most

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

Found with

EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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