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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	SMR000025686
Molecular formula	C23H24ClN3O3
IUPAC name	5-chloro-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
Molecular weight	425.913
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.3
Synonyms	AKOS001783894 REGID_for_CID_3237041 5-chloro-3-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid CHEMBL1373172 5-chloro-3-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid MLS000091124 BDBM31020 5-chloro-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid cid_3237041 AC1MMDHT MLS000876711 5-chloranyl-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid 5-chloro-3-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-1H-indole-2-carboxylic acid HMS2306J21 [ Show all ]
Inchi Key	DKPWDKDIPZQOLB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24ClN3O3/c1-14-4-3-5-20(15(14)2)26-8-10-27(11-9-26)21(28)13-18-17-12-16(24)6-7-19(17)25-22(18)23(29)30/h3-7,12,25H,8-11,13H2,1-2H3,(H,29,30)
PubChem CID	3237041
ChEMBL	CHEMBL1373172
IUPHAR	N/A
BindingDB	31020
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<40000.0 nM	N/A	BindingDB

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