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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 | BDBM196221 |
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Molecular formula | C23H22ClFN2O4 |
IUPAC name | 4-[2-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]butanoic acid |
Molecular weight | 444.887 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 1.7 |
Synonyms | US9670220, 211 |
Inchi Key | FLCOYXRNFCJQIB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22ClFN2O4/c24-16-5-3-15(4-6-16)14-30-17-7-8-18(19(25)12-17)23-26-20-13-27(10-1-2-22(28)29)11-9-21(20)31-23/h3-8,12H,1-2,9-11,13-14H2,(H,28,29) |
PubChem CID | 134686670 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 196221 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <10000.0 nM | N/A | BindingDB |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218