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Ligand · A1AL6

A1AL6 · (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile

A1AL6, (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile (C22 H21 N9 O2, 443.5 g/mol), in the MolNFT structures on GenesisL1…

Component
A1AL6
Formula
C22 H21 N9 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1AL6 in 1 structure; the first of them:

  • 7H09 · Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011177-001 · A1AL6 A201 · binds ALA21, ASP22, ILE23, ALA38, GLY48, VAL49, ALA52, LEU126 and 7 more

Residues it binds most

ALA 2, GLY 2, ILE 2, PHE 2, LEU 2, ASP 2, VAL 2 (residue and the binding sites it lines).

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