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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

NameCHEMBL3685928
Molecular formulaC35H27N3O3
IUPAC name2-[1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]-3,5-diphenylpyrazol-4-yl]acetic acid
Molecular weight537.619
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.7
SynonymsBDBM127168
SCHEMBL10142724
US8791272, 2.44
Inchi KeyAPDZRCXXAMEQSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H27N3O3/c39-32(40)22-31-33(26-10-3-1-4-11-26)37-38(34(31)27-12-5-2-6-13-27)23-24-15-19-30(20-16-24)36-35(41)29-18-17-25-9-7-8-14-28(25)21-29/h1-21H,22-23H2,(H,36,41)(H,39,40)
PubChem CID58071826
ChEMBLCHEMBL3685928
IUPHARN/A
BindingDB127168
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
Ki10.2 nM, NoneBindingDB,ChEMBL

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