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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Sphingosine 1-phosphate receptor 3
Species	Homo sapiens (Human)
Gene	S1PR3
Synonym	Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 Endothelial differentiation G-protein coupled receptor 3 endothelial differentiation G protein-coupled receptor 3 edg3 [ Show all ]
Disease	Breast cancer
Length	378
Amino acid sequence	MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
UniProt	Q99500
Protein Data Bank	N/A
GPCR-HGmod model	Q99500
3D structure model	This predicted structure model is from GPCR-EXP Q99500.
BioLiP	N/A
Therapeutic Target Database	T11241
ChEMBL	CHEMBL3892
IUPHAR	277
DrugBank	N/A

Ligand

Name	SCHEMBL805697
Molecular formula	C27H24F2N2O3
IUPAC name	1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylic acid
Molecular weight	462.497
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.3
Synonyms	US8524917, 151 AGBWBDTYFZRHNJ-UHFFFAOYSA-N CHEMBL3655514 1-Benzyl-3-(3,4-difluorobenzylcarbamoyl)-2-isopropyl-1H-indole-6-carboxylic Acid BDBM101178
Inchi Key	AGBWBDTYFZRHNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H24F2N2O3/c1-16(2)25-24(26(32)30-14-18-8-11-21(28)22(29)12-18)20-10-9-19(27(33)34)13-23(20)31(25)15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,30,32)(H,33,34)
PubChem CID	25060003
ChEMBL	CHEMBL3655514
IUPHAR	N/A
BindingDB	101178
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	N/A	BindingDB
IC50	<10000.0 nM	None	ChEMBL

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