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Ligand

NameCHEMBL3775370
Molecular formulaC21H15FN2O5S
IUPAC name6-[(3-fluoro-6H-benzo[c][1,5]benzoxazepin-11-yl)sulfonyl]-4H-1,4-benzoxazin-3-one
Molecular weight426.418
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50154369
Inchi KeyBKJYVCPUKCJUBJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15FN2O5S/c22-14-5-7-18-20(9-14)28-11-13-3-1-2-4-17(13)24(18)30(26,27)15-6-8-19-16(10-15)23-21(25)12-29-19/h1-10H,11-12H2,(H,23,25)
PubChem CID127030225
ChEMBLCHEMBL3775370
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5223455-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
522344Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
522343Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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