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Name | Sphingosine 1-phosphate receptor 3 |
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Species | Homo sapiens (Human) |
Gene | S1PR3 |
Synonym | Sphingosine 1-phosphate receptor Edg-3 S1P3 receptor S1P3 S1P receptor Edg-3 S1P receptor 3 [ 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 |
Name | MLS000033110 |
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Molecular formula | C12H11N5O2S |
IUPAC name | 1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione |
Molecular weight | 289.313 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 1.4 |
Synonyms | 1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone BAS 00444322 STK177227 1-ethyl-6-methyl-3-thiophen-2-yl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione Oprea1_582234 [ Show all ] |
Inchi Key | DMDNERFCUCYCGM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3 |
PubChem CID | 653297 |
ChEMBL | CHEMBL555689 |
IUPHAR | N/A |
BindingDB | 31044 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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IC50 | 815.0 nM | N/A | BindingDB |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218