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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 | MLS000058422 |
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Molecular formula | C15H19ClN2O3 |
IUPAC name | [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate |
Molecular weight | 310.778 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | MLS002633704 [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate AKOS033620448 SR-01000055397 3-cyclopentylpropanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester [ Show all ] |
Inchi Key | CFPAPTHPFYHAJT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19) |
PubChem CID | 2085057 |
ChEMBL | CHEMBL1542860 |
IUPHAR | N/A |
BindingDB | 31011 |
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 | <40000.0 nM | N/A | BindingDB |
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