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Name | Prostaglandin D2 receptor 2 |
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Species | Homo sapiens (Human) |
Gene | PTGDR2 |
Synonym | CD294 prostaglandin D2 receptor 2 PGD2 receptor Gpr44 G-protein coupled receptor 44 [ Show all ] |
Disease | Asthma; Chronic obstructive pulmonary disease Asthma Allergy Allergic rhinitis Allergic asthma [ Show all ] |
Length | 395 |
Amino acid sequence | MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS |
UniProt | Q9Y5Y4 |
Protein Data Bank | 6d27, 6d26 |
GPCR-HGmod model | Q9Y5Y4 |
3D structure model | This structure is from PDB ID 6d27. |
BioLiP | BL0428440, BL0428439 |
Therapeutic Target Database | T61722 |
ChEMBL | CHEMBL5071 |
IUPHAR | 339 |
DrugBank | BE0003561 |
Name | CHEMBL2042378 |
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Molecular formula | C23H17ClN4O5S |
IUPAC name | 2-[5'-chloro-3-methyl-2,2',5-trioxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]spiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid |
Molecular weight | 496.922 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | ASSMTOZUONKVFM-UHFFFAOYSA-N BDBM50385626 SCHEMBL2684986 [5'-chloro-3-methyl-2,2',5-trioxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl] Spiro[imidazolidine-4,3'-indol]-1'(2'H)-yl]acetic acid |
Inchi Key | ASSMTOZUONKVFM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H17ClN4O5S/c1-26-22(33)28(10-15-12-34-19(25-15)13-5-3-2-4-6-13)21(32)23(26)16-9-14(24)7-8-17(16)27(20(23)31)11-18(29)30/h2-9,12H,10-11H2,1H3,(H,29,30) |
PubChem CID | 67496929 |
ChEMBL | CHEMBL2042378 |
IUPHAR | N/A |
BindingDB | 50385626 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 3940.0 nM | PMID24900359 | BindingDB,ChEMBL |
Ki | 16.0 nM | PMID24900359 | BindingDB,ChEMBL |
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