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GLASS

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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	N-Methyltryptamine
Molecular formula	C11H14N2
IUPAC name	2-(1H-indol-3-yl)-N-methylethanamine
Molecular weight	174.247
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	2.1
Synonyms	BRN 0134134 DB-053906 HMS1440G10 LS-83251 N-Methyl-1H-indole-3-ethanamine Hydrochloride N-Omega-Methyltryptamine(NMT) 061M494 NCGC00018120-01 2-(1H-indol-3-yl)ethyl-methyl-amine SMR000059062 [2-(1H-Indol-3-yl)ethyl]methylamine AC1L1LS0 AM20040845 CHEBI:28136 dl-Methyltryptamine I05-3075 Methyltryptamine N-\|O-Methyltryptamine 1HU NCIKQJBVUNUXLW-UHFFFAOYSA-N 3-(2-methylaminoethyl)-indole ST50307997 61-49-4 BDBM30701 cid_6088 F1909-1620 INDOLE, 3-(2-(METHYLAMINO)ETHYL)- N(omega)-methyltryptamine N-Monomethyltryptamine Hydrochloride N10-Methyltryptamine Hydrochloride 2-(1H-Indol-3-yl)-N-methylethanamine Oprea1_433490 3-(2-[Methylamino]ethyl)indole ZINC1995685 942-27-8 C06213 Dipterine HMS2235A08 Maybridge3_003310 N-methyl-tryptamine N-omega-Methyltryptamine, 99% 1-Methyl-2-(3-indolyl)ethylamine NCGC00018120-02 2-(Indol-3-yl)-N-methylethanamine SR-01000000029-2 4CH-024507 [2-(1H-Indol-3-yl)ethyl]methylamine Hydrochloride AJ-32297 AN-41826 DTXSID70209846 IDI1_014697 MLS000069493 N-Methyltryptamine Hydrochloride N.omega.-methyltryptamine 2-(1H-indol-3-yl)-ethyl-methyl-amine Nw-Methyltryptamine 3-(2-Methylaminoethyl)indole UNII-6FRL4L3Z7V 6FRL4L3Z7V BIDD:GT0662 CTK6I5578 FT-0631273 KB-26663 N-methyl-1H-indole-3-ethanamine N-OMEGA-METHYLTRYPTAMINE (2-Indol-3-ylethyl)methylamine Nb-Methyltryptamine Hydrochloride 2-(1H-Indol-3-yl)-N-methylethanamine Hydrochloride SCHEMBL379409 3-(N-Methyl-2-amino-ethyl)-indole [2-(1H-indol-3-yl)ethyl](methyl)amine 942-27-8 (hydrochloride) CCG-56495 Dipterine Hydrochloride HMS3372P09 MCULE-1530991027 N-Methylindoleethylamine N-omega-Methyltryptamine, free base 1H-Indole-3-ethanamine, N-methyl- NCGC00018120-03 3-(2-(Methylamino)ethyl)indole ST24039082 5-22-10-00047 (Beilstein Handbook Reference) AKOS005203036 BC220665 CHEMBL348588 EINECS 200-507-9 InChI=1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H MolPort-001-784-409 N-Monomethyltryptamine N10-Methyltryptamine 2-(1H-indol-3-yl)-N-methyl-ethanamine N\|O-Methyltryptamine Hydrochloride 3-(2-Methylaminoethyl)indole Hydrochloride VI30185 9227AB [ Show all ]
Inchi Key	NCIKQJBVUNUXLW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
PubChem CID	6088
ChEMBL	CHEMBL348588
IUPHAR	N/A
BindingDB	30701
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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