Ligand · GJ9
GJ9 · (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium
GJ9, (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium (C28 H38 N5 O4 S +1, 540.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB…
- Component
- GJ9
- Formula
- C28 H38 N5 O4 S +1
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
GJ9 in 6 structures; the first of them:
- 7SK7 · Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist… · GJ9 A401 · binds TYR51, TRP100, SER103, ASN108, HIS121, PHE124, SER125, LEU128 and 9 more
- 7SK8 · Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist… · GJ9 A408 · binds TYR51, TRP100, SER103, ASN108, TRP110, HIS121, PHE124, SER125 and 12 more
- 7SK9 · Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662… · GJ9 A401 · binds TYR51, TRP100, SER103, LEU104, ASN108, HIS121, PHE124, SER125 and 12 more
- 7SK7 · Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist… · GJ9 A401 · binds TYR51, TRP100, SER103, ASN108, HIS121, PHE124, SER125, LEU128 and 7 more
- 7SK8 · Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist… · GJ9 A408 · binds TYR51, TRP100, SER103, ASN108, PHE124, SER125, LEU128, PHE129 and 9 more
- 7SK9 · Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662… · GJ9 A401 · binds TYR51, TRP100, ASN108, PHE124, SER125, LEU128, PHE129, ILE132 and 7 more
Residues it binds most
SER 6, LEU 6, HIS 6, PHE 6, TRP 6, TYR 6, ASN 6, GLN 6, ILE 6, GLY 4 (residue and the binding sites it lines).
Found with
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