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Ligand

NameSCHEMBL671511
Molecular formulaC29H38F4N4O5S
IUPAC nameN-(4-cyclohexylbutyl)-2-[(2S)-1-[[5-fluoro-2-[3-oxo-3-(trifluoromethylsulfonylamino)propyl]phenyl]methyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
Molecular weight630.7
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM240744
US9422273, 12a
CHEMBL3972583
Inchi KeyBJUUQOLZOPQZKM-VWLOTQADSA-N
Inchi IDInChI=1S/C29H38F4N4O5S/c30-23-13-11-21(12-14-26(38)36-43(40,41)29(31,32)33)22(17-23)18-37-16-6-10-25(37)28-35-24(19-42-28)27(39)34-15-5-4-9-20-7-2-1-3-8-20/h11,13,17,19-20,25H,1-10,12,14-16,18H2,(H,34,39)(H,36,38)/t25-/m0/s1
PubChem CID56649302
ChEMBLCHEMBL3972583
IUPHARN/A
BindingDB240744
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
536646Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
536644Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
536648Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
536645Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
536647Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
536642Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
536643Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
536649Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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