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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 | CHEMBL411315 |
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Molecular formula | C20H14Cl2N2O5 |
IUPAC name | 2-[(3R)-5-chloro-1'-[(3-chlorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid |
Molecular weight | 433.241 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | 2-[(3R)-5-chloro-1''-[(3-chlorophenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione]acetic acid Spiro-indolinone analogue, (R)-60 BDBM21605 SCHEMBL2483382 |
Inchi Key | PTGHDUZXAIHWGN-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C20H14Cl2N2O5/c21-12-3-1-2-11(6-12)9-24-16(25)8-20(19(24)29)14-7-13(22)4-5-15(14)23(18(20)28)10-17(26)27/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1 |
PubChem CID | 15949677 |
ChEMBL | CHEMBL411315 |
IUPHAR | N/A |
BindingDB | 21605 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 107.0 nM | PMID18318469 | BindingDB |
IC50 | 76.0 nM | PMID18318469 | ChEMBL |
IC50 | 107.0 nM | PMID18318469 | ChEMBL |
Ki | 23.0 nM | PMID18318469 | BindingDB,ChEMBL |
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