Ligand · A1AK2
A1AK2 · 7-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
A1AK2, 7-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione (C19 H22 N4 O2 S, 370.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…
- Component
- A1AK2
- Formula
- C19 H22 N4 O2 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 2
Binding sites
A1AK2 in 2 structures; the first of them:
- 7GZU · Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008674-001 · A1AK2 A201 · binds ALA21, ASP22, ILE23, ALA38, GLY48, VAL49, PRO125, LEU126 and 10 more
- 7H1E · Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008674-001 · A1AK2 A201 · binds ALA21, ASP22, ILE23, ALA38, GLY48, VAL49, LEU126, ALA129 and 7 more
Residues it binds most
ALA 2, ASP 2, GLY 2, ILE 2, LEU 2, PHE 2, VAL 2, PRO 1, SER 1 (residue and the binding sites it lines).
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