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Ligand · A1AN2

A1AN2 · 7-[(1R)-1-{[6-(2-aminopyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione

A1AN2, 7-[(1R)-1-{[6-(2-aminopyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione (C23 H25 N7 O2 S, 463.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
A1AN2
Formula
C23 H25 N7 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1AN2 in 1 structure; the first of them:

  • 7H17 · Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013389-001 · A1AN2 A201 · binds ALA21, ASP22, ILE23, ALA38, GLY48, VAL49, ALA52, LEU126 and 8 more

Residues it binds most

ALA 1, ASP 1, GLY 1, ILE 1, LEU 1, PHE 1, VAL 1 (residue and the binding sites it lines).

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