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Ligand

NameCHEMBL117821
Molecular formulaC31H24N2O4
IUPAC name(11E)-11-[2-[5-[hydroxy(phenyl)methyl]benzimidazol-1-yl]ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight488.543
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL9044183
BDBM50002818
(E)-11-[2-[5-(alpha-Hydroxybenzyl)-1H-benzimidazol-1-yl]ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
11-{2-[5-(Hydroxy-phenyl-methyl)-benzoimidazol-1-yl]-ethylidene}-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid (H2O)
Inchi KeyAEKGHOUHXTWVTG-AFUMVMLFSA-N
Inchi IDInChI=1S/C31H24N2O4/c34-30(20-6-2-1-3-7-20)21-10-12-28-27(17-21)32-19-33(28)15-14-25-24-9-5-4-8-23(24)18-37-29-13-11-22(31(35)36)16-26(25)29/h1-14,16-17,19,30,34H,15,18H2,(H,35,36)/b25-14+
PubChem CID10480645
ChEMBLCHEMBL117821
IUPHARN/A
BindingDB50002818
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
3554Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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