Ligand · I9G
I9G · 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4', 5':4,5]thieno[2,3 -c]isoquinoline
I9G, 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4', 5':4,5]thieno[2,3 -c]isoquinoline (C26 H33 N7 O7 S, 587.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB…
- Component
- I9G
- Formula
- C26 H33 N7 O7 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 3
Binding sites
I9G in 4 structures; the first of them:
- 7KGY · Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor… · I9G A701 · binds ASP167, HIS334, ASN418, GLU419, MET454, ASN473, TYR475, TYR479 and 8 more
- 8GEN · E. eligens beta-glucuronidase bound to UNC10201652-glucuronide · I9G A701 · binds ASP172, HIS343, PHE374, ASN424, GLU425, VAL459, GLN460, ASN479 and 9 more
- 8GES · R. hominis 2 beta-glucuronidase bound to UNC10201652-glucuronide · I9G A805 · binds ASP133, HIS318, ILE343, ASN378, GLU379, MET382, ASN434, TYR436 and 8 more
- 7KGY · Beta-glucuronidase from faecalibacterium prausnitzii bound to the inhibitor… · I9G A701 · binds ASP167, HIS334, ASN418, GLU419, MET454, ASN473, TYR475, TYR479 and 8 more
Residues it binds most
ASN 13, GLU 13, TYR 13, PHE 13, ARG 13, ASP 13, HIS 13, LYS 13, MET 12, TRP 13 (residue and the binding sites it lines).
Found with
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