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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 | MLS000043821 |
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Molecular formula | C16H11ClFN5O |
IUPAC name | 4-[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine |
Molecular weight | 343.746 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BRD-K02671247-001-01-2 STK765542 4-[1-[(2-chloro-4-fluorophenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine cid_588745 REGID_for_CID_588745 [ Show all ] |
Inchi Key | AOLLHGYQIPWYEK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H11ClFN5O/c17-11-7-10(18)6-5-9(11)8-23-13-4-2-1-3-12(13)20-16(23)14-15(19)22-24-21-14/h1-7H,8H2,(H2,19,22) |
PubChem CID | 588745 |
ChEMBL | CHEMBL1390396 |
IUPHAR | N/A |
BindingDB | 37418 |
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 | 8585.0 nM | N/A | BindingDB |
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