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GPCR

NameProstaglandin D2 receptor 2
SpeciesHomo sapiens (Human)
GenePTGDR2
SynonymCD294
prostaglandin D2 receptor 2
PGD2 receptor
Gpr44
G-protein coupled receptor 44
[ Show all ]
DiseaseAsthma; Chronic obstructive pulmonary disease
Asthma
Allergy
Allergic rhinitis
Allergic asthma
[ Show all ]
Length395
Amino acid sequenceMSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
UniProtQ9Y5Y4
Protein Data Bank6d27, 6d26
GPCR-HGmod modelQ9Y5Y4
3D structure modelThis structure is from PDB ID 6d27.
BioLiPBL0428440, BL0428439
Therapeutic Target DatabaseT61722
ChEMBLCHEMBL5071
IUPHAR339
DrugBankBE0003561

Ligand

NameSCHEMBL507891
Molecular formulaC22H21F3N2O4S
IUPAC name2-[3,5-dimethyl-1-[[4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]methyl]pyrazol-4-yl]acetic acid
Molecular weight466.475
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsUS8791272, 16.3
CHEMBL3686049
BDBM127292
Inchi KeyACAQKLCGPSVGRZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F3N2O4S/c1-14-20(11-21(28)29)15(2)27(26-14)12-16-3-5-17(6-4-16)13-32(30,31)19-9-7-18(8-10-19)22(23,24)25/h3-10H,11-13H2,1-2H3,(H,28,29)
PubChem CID58071759
ChEMBLCHEMBL3686049
IUPHARN/A
BindingDB127292
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki2288.0 nM, NoneBindingDB,ChEMBL

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