Ligand · 6NR

6NR · (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid

6NR, (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid (C16 H20 N6 O5 S, 408.4 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component: 6NR
Formula: C16 H20 N6 O5 S
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

6NR in 3 structures; the first of them:

5JUW · complex of Dot1l with SS148 · 6NR A523 · binds PRO133, GLU134, VAL135, TYR136, GLY137, GLU138, THR139, ASP161 and 18 more
7R1T · Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor · 6NR A301 · binds ASN43, TYR47, HIS69, GLY71, ALA72, GLY73, SER74, ALA79 and 13 more
8BWU · Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148… · 6NR A601 · binds GLN313, ILE332, GLY333, ASN334, PRO335, ASP352, ALA353, GLN354 and 8 more

Residues it binds most

GLY 3, ASP 3, ASN 3, PHE 3, VAL 2, ALA 3, PRO 3, TYR 3, GLN 2, GLU 1 (residue and the binding sites it lines).

Found with

ZN · Zinc ion
PO4 · Phosphate ion
UNX · Unknown atom or ion
MES · 2-(N-morpholino)-ethanesulfonic acid

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