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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

NameSCHEMBL8511017
Molecular formulaC20H19FN4O3
IUPAC name2-[1-[3-[(4-fluorophenyl)carbamoylamino]phenyl]-3,5-dimethylpyrazol-4-yl]acetic acid
Molecular weight382.395
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.8
SynonymsCHEMBL2385130
Inchi KeyAUJSRKOTBUORHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19FN4O3/c1-12-18(11-19(26)27)13(2)25(24-12)17-5-3-4-16(10-17)23-20(28)22-15-8-6-14(21)7-9-15/h3-10H,11H2,1-2H3,(H,26,27)(H2,22,23,28)
PubChem CID67606760
ChEMBLCHEMBL2385130
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition20.0 %PMID23601708ChEMBL

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