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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 | CHEMBL3126622 |
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Molecular formula | C27H34N4O5 |
IUPAC name | N-[(2S)-3-[4-[5-(6-cyclopentyl-5-methylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide |
Molecular weight | 494.592 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | N/A |
Inchi Key | AJNUGGYZUUFYOF-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C27H34N4O5/c1-4-18-11-20(10-17(3)25(18)35-15-22(33)13-28-23(34)14-32)26-30-27(36-31-26)21-9-16(2)24(29-12-21)19-7-5-6-8-19/h9-12,19,22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t22-/m0/s1 |
PubChem CID | 76314625 |
ChEMBL | CHEMBL3126622 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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EC50 | 25.0 nM | PMID24367923 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218