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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

NameCHEMBL3264231
Molecular formulaC24H25F3N2O5
IUPAC name(E)-3-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
Molecular weight478.468
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL18509245
Inchi KeyCSDOJXMHPWNFON-BQYQJAHWSA-N
Inchi IDInChI=1S/C24H25F3N2O5/c1-32-19-13-16(14-20(33-2)23(19)34-12-11-30)7-8-22(31)28-9-10-29-18-6-4-3-5-17(18)15-21(29)24(25,26)27/h3-8,13-15,30H,9-12H2,1-2H3,(H,28,31)/b8-7+
PubChem CID90677068
ChEMBLCHEMBL3264231
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kb95900.0 nMPMID24773616ChEMBL

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