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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

NameNVP-QAV680
Molecular formulaC18H18N2O4S
IUPAC name2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular weight358.412
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
Synonyms0E3D72URPD
BDBM50442299
ZINC34600373
2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid
CS-3461
[ Show all ]
Inchi KeyYOPFAMROKXHVCQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
PubChem CID11508736
ChEMBLCHEMBL2442750
IUPHARN/A
BindingDB50442299
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
FC3.1 -PMID24021582ChEMBL
IC50<10000.0 nMPMID24021582BindingDB,ChEMBL
IC503.0 nMPMID24021582BindingDB,ChEMBL
IC504.0 nMPMID24021582BindingDB,ChEMBL
IC505.0 nMPMID24021582BindingDB,ChEMBL
IC5021.0 nMNoneChEMBL
IC5031.0 nMPMID24021582BindingDB,ChEMBL
IC5037.0 nMPMID24021582BindingDB,ChEMBL
IC50102.0 nMPMID24021582BindingDB,ChEMBL
Ki29.0 nMNoneChEMBL
Ki36.0 nMPMID24021582BindingDB,ChEMBL

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