Ligand · A1IB6

A1IB6 · ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide

A1IB6, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide (C28 H27 N7 O6 S, 589.6 g/mol), in the MolNFT…

Component: A1IB6
Formula: C28 H27 N7 O6 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1IB6 in 1 structure; the first of them:

9FEH · Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957… · A1IB6 A601 · binds ILE332, GLY333, PRO335, ASP352, ALA353, GLN354, LEU366, PHE367 and 9 more

Residues it binds most

PHE 1, ASN 1, ASP 1, ALA 1, CYS 1, GLN 1, GLY 1, ILE 1, LEU 1, PRO 1 (residue and the binding sites it lines).

Found with

ZN · Zinc ion

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