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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

NameCHEMBL1916699
Molecular formulaC26H24F3NO5
IUPAC name2-[4-methoxy-3-[2-[[methyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetic acid
Molecular weight487.475
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.1
Synonyms{2'-[(Benzyloxycarbonyl-methyl-amino)-methyl]-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid
AQKVICADZXSAOO-UHFFFAOYSA-N
{2'-[(Benzyloxycarbonyl-methyl-amino)-methyl]-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl}-acetic acid
BDBM50357302
SCHEMBL139889
Inchi KeyAQKVICADZXSAOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24F3NO5/c1-30(25(33)35-16-17-6-4-3-5-7-17)15-19-14-20(26(27,28)29)9-10-21(19)22-12-18(13-24(31)32)8-11-23(22)34-2/h3-12,14H,13,15-16H2,1-2H3,(H,31,32)
PubChem CID44159529
ChEMBLCHEMBL1916699
IUPHARN/A
BindingDB50357302
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nMPMID21958540BindingDB,ChEMBL
IC509.0 nMPMID21958540BindingDB,ChEMBL
IC5018.0 nMPMID21958540BindingDB,ChEMBL

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