GL1X · GenesisL1 explorer

Ligand · 9BN

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

9BN, (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide (C28 H36 N4 O5 S, 540.7 g/mol), in the MolNFT structures…

Component
9BN
Formula
C28 H36 N4 O5 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

9BN in 1 structure; the first of them:

  • 5NVZ · pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dime… · 9BN C301 · binds ASN67, ARG69, PHE76, PRO86, TRP88, PHE91, TYR98, PRO99 and 8 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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