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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	I-BOP
Molecular formula	C23H29IO5
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 weight	512.384
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	128719-90-4 CAS_128719-90-4 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 D0X5MA (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 BDBM82512 ZINC13649924 1795AH GTPL1938 (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 C23H29IO5 CHEMBL2113346 AC1NSK5B [ Show all ]
Inchi Key	UYFMSCHBODMWON-HBHIRWTLSA-N
Inchi ID	InChI=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 CID	5311175
ChEMBL	CHEMBL2113346
IUPHAR	1938
BindingDB	82512
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
555020	Prostaglandin E2 receptor EP3 subtype	P30557	Ptger3	Mus musculus (Mouse)	365
555019	Prostaglandin F2-alpha receptor	P43117	Ptgfr	Mus musculus (Mouse)	366
348595	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343
555021	Thromboxane A2 receptor	P30987	Tbxa2r	Mus musculus (Mouse)	341

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