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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

NameCHEMBL3948154
Molecular formulaC30H31FN2O4
IUPAC name2-[3-[5-fluoro-2-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
Molecular weight502.586
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM205790
SCHEMBL15056598
US9255090, 259
Inchi KeyAOKSVOPELCOYGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31FN2O4/c1-32-13-11-20-5-3-4-6-21(20)27(32)17-29(34)33-14-12-23-25(18-33)22(8-9-26(23)31)24-15-19(16-30(35)36)7-10-28(24)37-2/h3-10,15,27H,11-14,16-18H2,1-2H3,(H,35,36)
PubChem CID89649030
ChEMBLCHEMBL3948154
IUPHARN/A
BindingDB205790
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50587.0 nM, NoneBindingDB,ChEMBL

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