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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

NameRamatroban
Molecular formulaC21H21FN2O4S
IUPAC name3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Molecular weight416.467
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsTox21_112516
9H-Carbazole-9-propanoic acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (R)-
[3H]ramatroban
AN-1137
Bay-u-3405
[ Show all ]
Inchi KeyLDXDSHIEDAPSSA-OAHLLOKOSA-N
Inchi IDInChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
PubChem CID123879
ChEMBLCHEMBL361812
IUPHAR1910, 1911
BindingDB50161746
DrugBankDB13036

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity>10.0 %PMID21355602ChEMBL
IC5021.0 nMPMID19592244BindingDB,ChEMBL
IC5028.0 nMPMID15715457BindingDB,ChEMBL
IC5029.0 nMPMID15715457BindingDB,ChEMBL
IC5077.0 nMPMID21355602BindingDB,ChEMBL
IC50169.0 nMPMID18318469ChEMBL
IC50195.0 nMPMID19592244BindingDB,ChEMBL
IC50210.0 nMPMID19592244BindingDB,ChEMBL
IC50311.0 nMPMID19608418BindingDB,ChEMBL
IC50461.0 nMPMID21355602BindingDB,ChEMBL
IC50754.0 nMPMID19608418BindingDB,ChEMBL
Kd7.94328 nMPMID16256979IUPHAR
Ki4.3 nMPMID15715457BindingDB,ChEMBL
Ki5.5 nMPMID21106375BindingDB
Ki39.8107 nMPMID16256979IUPHAR
Ki73.0 nMPMID19592244BindingDB,ChEMBL
Ki137.0 nMPMID21106375BindingDB,ChEMBL
Ki290.0 nMPMID15745833BindingDB,ChEMBL
Ki340.0 nMPMID15745833BindingDB,ChEMBL
Ratio IC501.6 -PMID19592244ChEMBL

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