Ligand · 9IG
9IG · 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl) ethyl]propan-1-amine
9IG, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl) ethyl]propan-1-amine (C18 H22 Cl N O, 303.8 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the…
- Component
- 9IG
- Formula
- C18 H22 Cl N O
- Class
- ligand
- Structures
- 7
- PDB entries
- 6
Binding sites
9IG in 7 structures; the first of them:
- 7SIL · Structure of positive allosteric modulator-bound active human calcium-sensing receptor · 9IG A910 · binds PHE668, GLN681, PHE684, GLY685, LEU773, LEU776, ILE777, THR780 and 6 more
- 9ASB · Structure of human calcium-sensing receptor in complex with chimeric Gq (miniGisq)… · 9IG Q1010 · binds PHE668, GLN681, PHE684, GLY685, GLU767, LEU770, LEU773, LEU776 and 9 more
- 9AVG · Structure of human calcium-sensing receptor in complex with chimeric Gs (miniGis) protein… · 9IG Q1009 · binds PHE668, GLN681, PHE684, GLY685, GLU767, LEU770, LEU773, LEU776 and 8 more
- 9AVL · Structure of human calcium-sensing receptor in complex with Gi3 protein in nanodiscs · 9IG Q1007 · binds PHE668, GLN681, PHE684, GLY685, GLU767, LEU770, LEU773, LEU776 and 7 more
- 9AXF · Structure of human calcium-sensing receptor in complex with chimeric Gq (miniGisq)… · 9IG R1010 · binds PHE668, GLN681, PHE684, GLY685, ILE777, THR780, TRP818, PHE821 and 5 more
- 9AYF · Structure of human calcium-sensing receptor in complex with Gi1 (miniGi1) protein in… · 9IG Q1010 · binds PHE668, GLN681, PHE684, GLU767, LEU770, LEU773, LEU776, ILE777 and 8 more
- 7SIL · Structure of positive allosteric modulator-bound active human calcium- sensing receptor · 9IG A910 · binds PHE668, GLN681, PHE684, GLY685, LEU773, LEU776, ILE777, THR780 and 2 more
Residues it binds most
PHE 14, ILE 14, LEU 13, GLU 14, GLN 14, THR 14, TRP 14, GLY 12, TYR 12, CYS 5 (residue and the binding sites it lines).
Found with
- CA · Calcium ion
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
- PO4 · Phosphate ion
- TCR · Cyclomethyltryptophan
- Y01 · Cholesterol hemisuccinate
- A1AF7 · (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
- CLR · Cholesterol
- AV0 · 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
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