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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 | NVP-QAV680 |
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Molecular formula | C18H18N2O4S |
IUPAC name | 2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid |
Molecular weight | 358.412 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.0 |
Synonyms | 2-(2-methyl-1-(4-(methylsulfonyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid CHEMBL2442750 QAV-680 872365-16-7 GTPL8996 [ Show all ] |
Inchi Key | YOPFAMROKXHVCQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22) |
PubChem CID | 11508736 |
ChEMBL | CHEMBL2442750 |
IUPHAR | N/A |
BindingDB | 50442299 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
FC | 3.1 - | PMID24021582 | ChEMBL |
IC50 | <10000.0 nM | PMID24021582 | BindingDB,ChEMBL |
IC50 | 3.0 nM | PMID24021582 | BindingDB,ChEMBL |
IC50 | 4.0 nM | PMID24021582 | BindingDB,ChEMBL |
IC50 | 5.0 nM | PMID24021582 | BindingDB,ChEMBL |
IC50 | 21.0 nM | None | ChEMBL |
IC50 | 31.0 nM | PMID24021582 | BindingDB,ChEMBL |
IC50 | 37.0 nM | PMID24021582 | BindingDB,ChEMBL |
IC50 | 102.0 nM | PMID24021582 | BindingDB,ChEMBL |
Ki | 29.0 nM | None | ChEMBL |
Ki | 36.0 nM | PMID24021582 | BindingDB,ChEMBL |
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