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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

NameCHEMBL3236948
Molecular formulaC23H21FN2O3
IUPAC name2-[5-fluoro-2-methyl-3-(1-oxo-2-propan-2-ylisoquinolin-4-yl)indol-1-yl]acetic acid
Molecular weight392.43
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50006830
CRA-680
2-(5-fluoro-3-(2-isopropyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-2-methyl-1H-indol-1-yl)acetic acid
IJTCACUKYBFEGJ-UHFFFAOYSA-N
SCHEMBL1757378
Inchi KeyIJTCACUKYBFEGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)
PubChem CID57505249
ChEMBLCHEMBL3236948
IUPHARN/A
BindingDB50006830
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5016000.0 nMPMID24512187BindingDB,ChEMBL

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