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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

NameCHEMBL3685923
Molecular formulaC25H29N3O3
IUPAC name2-[1-[(4-benzamidophenyl)methyl]-5-propan-2-yl-3-propylpyrazol-4-yl]acetic acid
Molecular weight419.525
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsUS8791272, 2.39
BDBM127163
SCHEMBL10142690
Inchi KeyAHDHIBQLXZTJHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O3/c1-4-8-22-21(15-23(29)30)24(17(2)3)28(27-22)16-18-11-13-20(14-12-18)26-25(31)19-9-6-5-7-10-19/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,31)(H,29,30)
PubChem CID58071688
ChEMBLCHEMBL3685923
IUPHARN/A
BindingDB127163
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.6 nM, NoneBindingDB,ChEMBL

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