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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

NameCHEMBL3916780
Molecular formulaC27H24FNO6
IUPAC name2-[5-(5-fluoro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]acetic acid
Molecular weight477.488
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM205699
SCHEMBL17061212
US9255090, 168
Inchi KeyABWSMUIKDSQQTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24FNO6/c28-23-7-6-19(21-12-18(14-25(30)31)13-24-26(21)34-11-10-33-24)22-15-29(9-8-20(22)23)27(32)35-16-17-4-2-1-3-5-17/h1-7,12-13H,8-11,14-16H2,(H,30,31)
PubChem CID118353186
ChEMBLCHEMBL3916780
IUPHARN/A
BindingDB205699
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5017.9 nM, NoneBindingDB,ChEMBL

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