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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 | CHEMBL605763 |
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Molecular formula | C25H15F3N2O2S |
IUPAC name | 2-[2-[bis(4-fluorophenyl)methyl]-4-(3-cyano-4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid |
Molecular weight | 464.462 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50309305 2-(2-(bis(4-fluorophenyl)methyl)-4-(3-cyano-4-fluorophenyl)thiazol-5-yl)acetic acid |
Inchi Key | AQQWBHSNYSMRRV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H15F3N2O2S/c26-18-6-1-14(2-7-18)23(15-3-8-19(27)9-4-15)25-30-24(21(33-25)12-22(31)32)16-5-10-20(28)17(11-16)13-29/h1-11,23H,12H2,(H,31,32) |
PubChem CID | 46230511 |
ChEMBL | CHEMBL605763 |
IUPHAR | N/A |
BindingDB | 50309305 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Efficacy | 80.0 % | PMID20022749 | ChEMBL |
IC50 | 57.0 nM | PMID20022749 | BindingDB,ChEMBL |
IC50 | 520.0 nM | PMID20022749 | BindingDB,ChEMBL |
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