BDBM708386 (S)-3-amino-N-(1-(2-(2,4- difluorophenyl)-2-hydroxy-3- (1H-1,2,4-triazol-1- yl)propyl)piperidin-4-yl)-2-oxo- 1-(4-phenyl-3,4-dihydro-2H- benzo[b][1,4]oxazin-6-yl)-1,2- dihydrothieno[2,3-b]pyrazine- 6-carboxamide::US20240424113, Compound I-7

SMILES c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)C(=O)NC6CCN(CC6)C[C@](Cn7cncn7)(c8ccc(cc8F)F)O

InChI Key InChIKey=LAWFFQRHZBSHCM-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 708386   

TargetHeat shock protein 90 homolog(Yeast)
Bright Angel Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 708386BDBM708386((S)-3-amino-N-(1-(2-(2,4- difluorophenyl)-2-hydrox...)
Affinity DataKd:  22.8nMAssay Description:Surface Plasmon Resonance (SPR) Experiments. SPR experiments were performed on a Biacore S200 instrument at 25° C. Biotinylated Hsp90 Nuclear Binding...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
5/7/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetHeat shock protein 90(Neosartorya fumigata)
Bright Angel Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 708386BDBM708386((S)-3-amino-N-(1-(2-(2,4- difluorophenyl)-2-hydrox...)
Affinity DataKd:  76.4nMAssay Description:Surface Plasmon Resonance (SPR) Experiments. SPR experiments were performed on a Biacore S200 instrument at 25° C. Biotinylated Hsp90 Nuclear Binding...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
5/7/2025
Entry Details
US Patent