GL1X · GenesisL1 explorer

Ligand · HB9

HB9 · ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide

HB9, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide (C29 H23 F2 N3 O4 S, 547.6 g/mol), in the MolNFT…

Component
HB9
Formula
C29 H23 F2 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HB9 in 2 structures; the first of them:

  • 5MTY · Dibenzosuberone inhibitor 8e in complex with p38 MAPK · HB9 A401 · binds VAL30, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75, ILE84 and 13 more
  • 5MTY · Dibenzosuberone inhibitor 8E in complex with P38 MAPK · HB9 A401 · binds VAL38, ALA51, LYS53, GLU71, LEU75, ILE84, LEU104, THR106 and 7 more

Residues it binds most

LEU 2, ALA 2, ASP 2, VAL 2, GLU 2, GLY 2, ILE 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • BOG · octyl beta-D-glucopyranoside

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.