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Ligand · 9BH

9BH · (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

9BH, (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide (C27 H36 N4 O4 S, 512.7 g/mol), in the MolNFT structures on GenesisL1…

Component
9BH
Formula
C27 H36 N4 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

9BH in 1 structure; the first of them:

  • 5NW1 · pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutan… · 9BH C301 · binds ASN67, ARG69, PHE76, PRO86, TRP88, PHE91, TYR98, PRO99 and 9 more

Residues it binds most

ARG 4, HIS 4, PHE 4, PRO 4, TRP 4, TYR 4, ASN 4, ILE 4, LEU 4, SER 4 (residue and the binding sites it lines).

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