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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	Etrasimod
Molecular formula	C26H26F3NO3
IUPAC name	2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
Molecular weight	457.493
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	6.4
Synonyms	(R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid APD334 D10930 HY-12789 BDBM50041691 Etrasimod [USAN] MVGWUTBTXDYMND-QGZVFWFLSA-N UNII-6WH8495MMH (R)-2-(7-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid AKOS032944972 compound 4 [PMID: 25516790] F10118 1206123-37-6 APD334-003 KS-00001D0Q 6WH8495MMH Etrasimod(APD334) SB17088 ZINC117522788 (R)-2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta(b)indol-3-yl) acetic acid APD-334 CS-6181 GTPL9331 2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid BCP19558 Etrasimod (USAN) MolPort-044-561-876 CHEMBL3358920 EX-A1633 SCHEMBL1919311 [ Show all ]
Inchi Key	MVGWUTBTXDYMND-QGZVFWFLSA-N
Inchi ID	InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
PubChem CID	44623998
ChEMBL	CHEMBL3358920
IUPHAR	9331
BindingDB	50041691
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
450150	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
450147	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
450148	Sphingosine 1-phosphate receptor 1	P48303	S1pr1	Rattus norvegicus (Rat)	383
450149	Sphingosine 1-phosphate receptor 1	O08530	S1pr1	Mus musculus (Mouse)	382
450145	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
450146	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
450152	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
450151	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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