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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

NameCHEMBL207805
Molecular formulaC22H19ClN2O4S
IUPAC name2-[4-[(4-chlorophenyl)methyl]-5-cyano-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular weight442.914
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
Synonyms2-(4-(4-chlorobenzyl)-5-cyano-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
BDBM50184247
Inchi KeyAZOCOBMVJZZNML-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClN2O4S/c1-30(28,29)17-8-15(11-24)22-19(10-17)18-7-4-14(9-20(26)27)21(18)25(22)12-13-2-5-16(23)6-3-13/h2-3,5-6,8,10,14H,4,7,9,12H2,1H3,(H,26,27)
PubChem CID44411606
ChEMBLCHEMBL207805
IUPHARN/A
BindingDB50184247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.7 nMPMID16529930BindingDB,ChEMBL

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