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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 | CHEMBL1917389 |
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Molecular formula | C16H10Cl2O3 |
IUPAC name | 2-[4-chloro-2-[2-(3-chlorophenyl)ethynyl]phenoxy]acetic acid |
Molecular weight | 321.153 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | {4-chloro-2-[(3-chlorophenyl)ethynyl]phenoxy}acetic acid SCHEMBL1368182 ZINC73161492 BDBM50356646 LROYLZZPNSRGAA-UHFFFAOYSA-N |
Inchi Key | LROYLZZPNSRGAA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20) |
PubChem CID | 46865762 |
ChEMBL | CHEMBL1917389 |
IUPHAR | N/A |
BindingDB | 50356646 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 29.0 nM | PMID21916510 | BindingDB,ChEMBL |
IC50 | 104.0 nM | PMID21916510 | BindingDB,ChEMBL |
IC50 | 114.0 nM | PMID21916510 | BindingDB,ChEMBL |
IC50 | 1200.0 nM | PMID21916510 | BindingDB,ChEMBL |
IC50 | 6900.0 nM | PMID21916510 | BindingDB,ChEMBL |
Ki | 29.0 nM | PMID21916510 | BindingDB,ChEMBL |
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