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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

NameCHEMBL3955736
Molecular formulaC30H29F2NO4
IUPAC name2-[3-[5-fluoro-2-[2-[1-(4-fluorophenyl)cyclobutyl]acetyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
Molecular weight505.562
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsSCHEMBL15056006
US9255090, 251
BDBM205782
Inchi KeyACXKFTYVDIBZMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H29F2NO4/c1-37-27-10-3-19(16-29(35)36)15-24(27)22-8-9-26(32)23-11-14-33(18-25(22)23)28(34)17-30(12-2-13-30)20-4-6-21(31)7-5-20/h3-10,15H,2,11-14,16-18H2,1H3,(H,35,36)
PubChem CID89648599
ChEMBLCHEMBL3955736
IUPHARN/A
BindingDB205782
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
IC50414.0 nM, NoneBindingDB,ChEMBL

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