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Ligand

NameCHEMBL420678
Molecular formulaC26H22N2O3
IUPAC name(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-9-carboxylic acid
Molecular weight410.473
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50002797
SCHEMBL9045573
11-[2-(5,6-Dimethyl-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-9-carboxylic acid (0.25H2O)
Inchi KeyAHZSPDQUXJKOBT-UKWGHVSLSA-N
Inchi IDInChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-20-21-5-3-4-6-25(21)31-14-19-8-7-18(26(29)30)13-22(19)20/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b20-9-
PubChem CID10409291
ChEMBLCHEMBL420678
IUPHARN/A
BindingDB50002797
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
6016Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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