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Ligand

NameI-BOP
Molecular formulaC23H29IO5
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular weight512.384
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
Synonyms(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
(Z)-7-[(1S,4R,5R,6R)-5-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
128719-90-4
1795AH
7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID
[ Show all ]
Inchi KeyUYFMSCHBODMWON-HBHIRWTLSA-N
Inchi IDInChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
PubChem CID5311175
ChEMBLCHEMBL2113346
IUPHAR1938
BindingDB82512
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
555020Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
555019Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
348595Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
555021Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

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