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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

NameCHEMBL119550
Molecular formulaC29H33NO4
IUPAC name(Z)-7-[(1R,2R,3S,5S)-2-(dibenzofuran-2-carbonylamino)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight459.586
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50060467
(Z)-7-{(1R,2R,3S,5S)-2-[(Dibenzofuran-2-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid
(Z)-7-[(1R,5S)-2alpha-[(Dibenzofuran-2-ylcarbonyl)amino]-6,6-dimethylbicyclo[3.1.1]heptan-3beta-yl]-5-heptenoic acid
Inchi KeyCVLLFECJXVDQEK-LGNCZSJASA-N
Inchi IDInChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1
PubChem CID10813802
ChEMBLCHEMBL119550
IUPHARN/A
BindingDB50060467
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5032.0 nMPMID9357516BindingDB,ChEMBL
IC50220.0 nMPMID9357516BindingDB,ChEMBL

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