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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

NameCHEMBL3093605
Molecular formulaC24H22N2O5
IUPAC name2-[1-[4-(oxane-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
Molecular weight418.449
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50444225
Inchi KeyAQVQHJCNMSBQON-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N2O5/c27-21(28)13-17-14-25-22(20-4-2-1-3-19(17)20)23(29)15-5-7-18(8-6-15)26-24(30)16-9-11-31-12-10-16/h1-8,14,16H,9-13H2,(H,26,30)(H,27,28)
PubChem CID72736344
ChEMBLCHEMBL3093605
IUPHARN/A
BindingDB50444225
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID24216094BindingDB,ChEMBL
IC50400.0 nMPMID24216094BindingDB,ChEMBL

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