GL1X · GenesisL1 explorer

Ligand · 5BF

5BF · (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide

5BF, (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide (C36 H37 N3 O6, 607.7 g/mol), in the MolNFT structures on GenesisL1…

Component
5BF
Formula
C36 H37 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

5BF in 2 structures; the first of them:

  • 4Q2K · Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b · 5BF A301 · binds HIS57, ASP102, TRP172, LYS175, SER190, CYS191, MET192, GLY193 and 9 more
  • 4Q2K · Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5B · 5BF A301 · binds HIS57, ASP102, TRP172, LYS175, SER190, CYS191, MET192, GLY193 and 9 more

Residues it binds most

SER 8, GLY 8, ASP 8, CYS 8, TRP 8, HIS 8, LYS 8, MET 8, VAL 8, ASN 6 (residue and the binding sites it lines).

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