Ligand · JQ1
JQ1 · (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
JQ1, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium (C23 H26 Cl N4 O2 S +1, 458.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…
- Component
- JQ1
- Formula
- C23 H26 Cl N4 O2 S +1
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
JQ1 in 1 structure; the first of them:
- 8F5Y · Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 · JQ1 A501 · binds ASP205, LEU206, SER208, LEU209, VAL211, LEU240, MET243, ALA244 and 15 more
Residues it binds most
PHE 2, MET 2, LEU 2, HIS 2, SER 2, ALA 2, GLN 2, TRP 2, ARG 1, ASP 1 (residue and the binding sites it lines).
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