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GPCR

NameProstacyclin receptor
SpeciesHomo sapiens (Human)
GenePTGIR
Synonymprostaglandin I2 receptor
IP receptor
prostacyclin receptor
prostanoid IP receptor
PGI2 receptor
[ Show all ]
DiseaseSolid tumours
Pulmonary hypertension
Pulmonary arterial hypertension; Thrombosis
Pulmonary arterial hypertension
Medical abortion
[ 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

NameCHEMBL3793957
Molecular formulaC24H30N2O4
IUPAC name2-[1-[2-(N-benzoyl-2,4-dimethylanilino)ethyl]piperidin-4-yl]oxyacetic acid
Molecular weight410.514
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
SynonymsBDBM50163300
Inchi KeyAHHLHGMBGXSSSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2O4/c1-18-8-9-22(19(2)16-18)26(24(29)20-6-4-3-5-7-20)15-14-25-12-10-21(11-13-25)30-17-23(27)28/h3-9,16,21H,10-15,17H2,1-2H3,(H,27,28)
PubChem CID127028866
ChEMBLCHEMBL3793957
IUPHARN/A
BindingDB50163300
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID26996371BindingDB,ChEMBL

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