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Ligand

NameCHEMBL314533
Molecular formulaC38H34N2O4S
IUPAC name2-methyl-N-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-2-phenylpropanamide
Molecular weight614.76
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.6
Synonymsalpha,alpha-Dimethyl-N-[4'-(6-oxo-5,6,11,12-tetrahydrodibenzo[b,f]azocine-5-ylmethyl)-2-biphenylylsulfonyl]benzeneacetamide
4''-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-ylmethyl)-biphenyl-2-sulfonic acid (2-methyl-2-phenyl-propionyl)-amide
BDBM50081444
Inchi KeyACRISRQBBKJCTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H34N2O4S/c1-38(2,31-14-4-3-5-15-31)37(42)39-45(43,44)35-19-11-9-16-32(35)29-22-20-27(21-23-29)26-40-34-18-10-7-13-30(34)25-24-28-12-6-8-17-33(28)36(40)41/h3-23H,24-26H2,1-2H3,(H,39,42)
PubChem CID9809136
ChEMBLCHEMBL314533
IUPHARN/A
BindingDB50081444
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1820Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
1823Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
1824Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
1821Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
1827Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
1822Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
1826Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
1825Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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