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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

NameCHEMBL2036031
Molecular formulaC17H16FN5O
IUPAC nameN-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
Molecular weight325.347
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsSCHEMBL949894
ZINC84654559
BDBM50384498
Propanamide, N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]-
1262337-88-1
Inchi KeyALQFXYZLBJMASO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16FN5O/c1-2-16(24)23(11-13-6-3-4-9-15(13)18)14-8-5-7-12(10-14)17-19-21-22-20-17/h3-10H,2,11H2,1H3,(H,19,20,21,22)
PubChem CID49872776
ChEMBLCHEMBL2036031
IUPHARN/A
BindingDB50384498
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki950.0 nMPMID24900284BindingDB,ChEMBL

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