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Ligand · 54B

54B · 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea

54B, 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea (C26 H26 F3 N9 O3 S, 601.6 g/mol), in the MolNFT…

Component
54B
Formula
C26 H26 F3 N9 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

54B in 1 structure; the first of them:

  • 5YIG · Crystal structure of streptococcus pneumonia pare with inhibitor · 54B A301 · binds ILE48, ASN51, ASP54, GLU55, VAL76, ASP78, ARG81, GLY82 and 6 more

Residues it binds most

ASP 2, ILE 2, ARG 2, GLY 2, SER 2, ASN 2, GLU 2, MET 2, PRO 2, THR 2 (residue and the binding sites it lines).

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