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Ligand

NameCHEMBL90491
Molecular formulaC37H32N2O4S
IUPAC nameN-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-2-phenylpropanamide
Molecular weight600.733
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.3
Synonymsalpha-Methyl-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-phenyl-propionyl)-amide
BDBM50081453
Inchi KeyAWTBWGONODQBEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40)
PubChem CID9938626
ChEMBLCHEMBL90491
IUPHARN/A
BindingDB50081453
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
16330Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
16336Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
16331Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
16333Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
16334Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
16337Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
16335Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
16332Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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