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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

NameCHEMBL9367
Molecular formulaC18H21NOS
IUPAC name1-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]pyrrolidine
Molecular weight299.432
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.3
SynonymsSCHEMBL5789292
DTXSID40472247
677343-21-4
ZINC25996091
Pyrrolidine, 1-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
[ Show all ]
Inchi KeyAZPDJWMBHFXOQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21NOS/c1-20-16-6-10-18(11-7-16)21-17-8-4-15(5-9-17)14-19-12-2-3-13-19/h4-11H,2-3,12-14H2,1H3
PubChem CID11771014
ChEMBLCHEMBL9367
IUPHARN/A
BindingDB50223846
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10000.0 nMPMID15013022BindingDB,ChEMBL

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