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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 | CHEMBL1689130 |
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Molecular formula | C22H24Cl2N2O4 |
IUPAC name | 2-[4-chloro-2-[[(3S)-4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid |
Molecular weight | 451.344 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.6 |
Synonyms | SCHEMBL1713861 (S)-2-(4-chloro-2-((4-(2-(3-chlorophenyl)acetyl)-3-methylpiperazin-1-yl)methyl)phenoxy)acetic acid BDBM50339759 |
Inchi Key | AKGCSSSQGMHLQE-HNNXBMFYSA-N |
Inchi ID | InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)5-6-20(17)30-14-22(28)29)7-8-26(15)21(27)10-16-3-2-4-18(23)9-16/h2-6,9,11,15H,7-8,10,12-14H2,1H3,(H,28,29)/t15-/m0/s1 |
PubChem CID | 11633804 |
ChEMBL | CHEMBL1689130 |
IUPHAR | N/A |
BindingDB | 50339759 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | >10.0 % | PMID21355602 | ChEMBL |
IC50 | 6.8 nM | PMID21355602 | BindingDB,ChEMBL |
IC50 | 27.0 nM | PMID21355602 | BindingDB,ChEMBL |
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