Ligand · XQ3
XQ3 · N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
XQ3, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide (C28 H32 Cl2 N4 O6 S2, 655.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB…
- Component
- XQ3
- Formula
- C28 H32 Cl2 N4 O6 S2
- Class
- ligand
- Structures
- 4
- PDB entries
- 4
Binding sites
XQ3 in 4 structures; the first of them:
- 8FC8 · Cryo-EM structure of the human TRPV4 in complex with GSK1016790A · XQ3 A1001 · binds SER470, ASN474, SER477, TYR478, ALA481, THR520, LEU523, PHE524 and 13 more
- 8FCB · Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A · XQ3 A901 · binds SER470, ASN474, SER477, TYR478, ALA481, THR520, LEU523, PHE524 and 13 more
- 8J1B · GSK101 and Ruthenium Red bound state of mTRPV4 · XQ3 A901 · binds SER470, ASN474, VAL475, SER477, TYR478, ALA481, THR520, LEU523 and 12 more
- 8J1F · GSK101 bound state of mTRPV4 · XQ3 A901 · binds SER470, PHE471, ASN474, VAL475, SER477, TYR478, ALA481, THR520 and 11 more
Residues it binds most
PHE 16, SER 16, TYR 16, ASN 16, THR 16, ASP 16, ALA 16, GLN 16, ILE 16, LEU 16 (residue and the binding sites it lines).
Found with
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