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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

NameCHEMBL3891887
Molecular formulaC31H34FNO4
IUPAC name2-[3-[5-fluoro-2-(3-methyl-3-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-8-yl]-4-propan-2-yloxyphenyl]acetic acid
Molecular weight503.614
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM205822
SCHEMBL15055433
US9255090, 291
Inchi KeyADLQQCGDOHOBHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H34FNO4/c1-20(2)37-28-13-10-21(17-30(35)36)16-25(28)23-11-12-27(32)24-14-15-33(19-26(23)24)29(34)18-31(3,4)22-8-6-5-7-9-22/h5-13,16,20H,14-15,17-19H2,1-4H3,(H,35,36)
PubChem CID89648205
ChEMBLCHEMBL3891887
IUPHARN/A
BindingDB205822
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC505.9 nM, NoneBindingDB,ChEMBL

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