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GPCR

NameProstacyclin receptor
SpeciesHomo sapiens (Human)
GenePTGIR
Synonymprostanoid IP receptor
prostaglandin I2 receptor
prostaglandin I2 (prostacyclin) receptor (IP)
prostacyclin receptor
PGI2 receptor
[ Show all ]
DiseaseSolid tumours
Pulmonary hypertension
Medical abortion
Pulmonary arterial hypertension
Hypertension
[ Show all ]
Length386
Amino acid sequenceMADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
UniProtP43119
Protein Data BankN/A
GPCR-HGmod modelP43119
3D structure modelThis predicted structure model is from GPCR-EXP P43119.
BioLiPN/A
Therapeutic Target DatabaseT99954
ChEMBLCHEMBL1995
IUPHAR345
DrugBankBE0000475

Ligand

NameCHEMBL266622
Molecular formulaC28H30O4
IUPAC name2-[[5-(3-benzhydryloxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Molecular weight430.544
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50284374
[5-(3-Benzhydryloxy-propyl)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid
Inchi KeyDHPQOFXEJNOGOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30O4/c29-27(30)20-32-26-18-8-16-24-21(14-7-17-25(24)26)15-9-19-31-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,8,10-13,16,18,21,28H,7,9,14-15,17,19-20H2,(H,29,30)
PubChem CID44267196
ChEMBLCHEMBL266622
IUPHARN/A
BindingDB50284374
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50460.0 nM, Bioorg. Med. Chem. Lett., (1995) 5:10:1077BindingDB,ChEMBL

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