Ligand · AIT
AIT · (2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2R)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
AIT, (2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2R)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol (C27 H29 N O4 S, 463.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…
- Component
- AIT
- Formula
- C27 H29 N O4 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
AIT in 2 structures; the first of them:
- 1XPC · Human estrogen receptor alpha ligand-binding domain in complex with compound 19 · AIT A600 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, LEU354 and 15 more
- 1XPC · Human estrogen receptor alpha ligand-binding domain in complex with compound 19 · AIT A600 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, LEU354 and 15 more
Residues it binds most
LEU 2, MET 2, ALA 2, ARG 2, ASP 2, CYS 2, GLU 2, GLY 2, HIS 2, ILE 2 (residue and the binding sites it lines).
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