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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	SMR000015635
Molecular formula	C16H17N3O2
IUPAC name	N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
Molecular weight	283.331
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.2
Synonyms	ZINC38580 Cambridge id 7028879 KS-00003W5F N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}cyclopropanecarboxamide AKOS000492792 Cyclopropanecarboxylic acid [4-(3,5-dimethyl-pyrazole-1-carbonyl)-phenyl]-amide MolPort-001-530-060 Oprea1_370758 BAS 04382372 IDI1_011198 N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide STK099640 510717-70-1 CHEMBL1347845 MCULE-3676020637 N-{4-[(3,5-dimethylpyrazolyl)carbonyl]phenyl}cyclopropylcarboxamide AN-329/40989969 HMS1428H09 N-[4-(3,5-dimethyl-1H-pyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide BDBM37488 IFLab1_005795 N-[4-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]phenyl]cyclopropanecarboxamide Z57233693 AC1LDV1N cid_675735 MLS000103400 Oprea1_026231 ARONIS003060 HMS2248B16 N-[4-(3,5-dimethylpyrazol-1-yl)carbonylphenyl]cyclopropanecarboxamide ST054790 [ Show all ]
Inchi Key	AJYNZXMQANAJHO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17N3O2/c1-10-9-11(2)19(18-10)16(21)13-5-7-14(8-6-13)17-15(20)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,17,20)
PubChem CID	675735
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37488
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<49800.0 nM	N/A	BindingDB

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