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GPCR

NameProstaglandin D2 receptor
SpeciesHomo sapiens (Human)
GenePTGDR
SynonymPGD2 receptor
DP1
DP1 receptor
PTGDR1
prostanoid DP receptor-like
[ Show all ]
DiseasePain
Dyslipidaemias
Rhinitis
Thromboembolism
Thrombosis
[ Show all ]
Length359
Amino acid sequenceMKSPFYRCQNTTSVEKGNSAVMGGVLFSTGLLGNLLALGLLARSGLGWCSRRPLRPLPSVFYMLVCGLTVTDLLGKCLLSPVVLAAYAQNRSLRVLAPALDNSLCQAFAFFMSFFGLSSTLQLLAMALECWLSLGHPFFYRRHITLRLGALVAPVVSAFSLAFCALPFMGFGKFVQYCPGTWCFIQMVHEEGSLSVLGYSVLYSSLMALLVLATVLCNLGAMRNLYAMHRRLQRHPRSCTRDCAEPRADGREASPQPLEELDHLLLLALMTVLFTMCSLPVIYRAYYGAFKDVKEKNRTSEEAEDLRALRFLSVISIVDPWIFIIFRSPVFRIFFHKIFIRPLRYRSRCSNSTNMESSL
UniProtQ13258
Protein Data BankN/A
GPCR-HGmod modelQ13258
3D structure modelThis predicted structure model is from GPCR-EXP Q13258.
BioLiPN/A
Therapeutic Target DatabaseT68782
ChEMBLCHEMBL4427
IUPHAR338
DrugBankBE0000296

Ligand

NameCHEMBL81751
Molecular formulaC23H33NO4S
IUPAC name(Z)-7-[(1S,2R,3R,4R)-3-[(2,4,6-trimethylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular weight419.58
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50128718
(+) 7-[3-(2,4,6-Trimethyl-benzenesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
Inchi KeyBNOARKHAHGSVLH-RUJXCBFBSA-N
Inchi IDInChI=1S/C23H33NO4S/c1-15-12-16(2)23(17(3)13-15)29(27,28)24-22-19-11-10-18(14-19)20(22)8-6-4-5-7-9-21(25)26/h4,6,12-13,18-20,22,24H,5,7-11,14H2,1-3H3,(H,25,26)/b6-4-/t18-,19+,20+,22+/m0/s1
PubChem CID11811847
ChEMBLCHEMBL81751
IUPHARN/A
BindingDB50128718
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50130.0 nMPMID12773047BindingDB,ChEMBL
IC505400.0 nMPMID12773047BindingDB,ChEMBL

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