Ligand · A1ALQ
A1ALQ · (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile
A1ALQ, (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile (C23 H24 N8 O2, 444.5 g/mol), in the MolNFT structures on GenesisL1…
- Component
- A1ALQ
- Formula
- C23 H24 N8 O2
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
A1ALQ in 1 structure; the first of them:
- 7H00 · Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011221-001 · A1ALQ A201 · binds ALA21, ASP22, ILE23, ALA38, GLY48, VAL49, ALA52, LEU126 and 5 more
Residues it binds most
ALA 1, GLY 1, PHE 1, ASP 1, ILE 1, LEU 1, VAL 1 (residue and the binding sites it lines).
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