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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

NameCHEMBL3398230
Molecular formulaC29H25FN2O4
IUPAC name2-[[6-[[5-(2-fluorophenyl)-6-oxo-4-phenylpyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Molecular weight484.527
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50103416
Inchi KeyCAAUTBHINKSZSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H25FN2O4/c30-25-11-5-4-10-23(25)28-24(20-7-2-1-3-8-20)16-31-32(29(28)35)17-19-13-14-22-21(15-19)9-6-12-26(22)36-18-27(33)34/h1-12,16,19H,13-15,17-18H2,(H,33,34)
PubChem CID118727309
ChEMBLCHEMBL3398230
IUPHARN/A
BindingDB50103416
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50140.0 nMPMID25666818BindingDB,ChEMBL
Intrinsic activity91.0 %PMID25666818ChEMBL

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