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Name | Sphingosine 1-phosphate receptor 2 |
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Species | Rattus norvegicus (Rat) |
Gene | S1pr2 |
Synonym | S1P2 receptor S1P2 S1P receptor Edg-5 S1P receptor 2 GPCR18 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 352 |
Amino acid sequence | MGGLYSEYLNPEKVQEHYNYTKETLDMQETPSRKVASAFIIILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFVANTLLSGPVTLSLTPLQWFAREGSAFITLSASVFSLLAIAIERQVAIAKVKLYGSDKSCRMLMLIGASWLISLILGGLPILGWNCLDHLEACSTVLPLYAKHYVLCVVTIFSVILLAIVALYVRIYFVVRSSHADVAGPQTLALLKTVTIVLGVFIICWLPAFSILLLDSTCPVRACPVLYKAHYFFAFATLNSLLNPVIYTWRSRDLRREVLRPLLCWRQGKGATGRRGGNPGHRLLPLRSSSSLERGLHMPTSPTFLEGNTVV |
UniProt | P47752 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3616360 |
IUPHAR | 276 |
DrugBank | N/A |
Name | CHEMBL3618201 |
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Molecular formula | C31H26F2N2O6 |
IUPAC name | 4-[3-(4-fluorophenoxy)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]benzoic acid |
Molecular weight | 560.554 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | BDBM149705 SCHEMBL14839451 US8975409, Example 9(3) |
Inchi Key | PZFBUIYFAFMDBM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37) |
PubChem CID | 71547555 |
ChEMBL | CHEMBL3618201 |
IUPHAR | N/A |
BindingDB | 149705 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 3.3 nM | , None, PMID26384288 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417