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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

NameCHEMBL14600
Molecular formulaC19H25N5O2S
IUPAC name(5R)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-1-[4-(2H-tetrazol-5-ylsulfanyl)butyl]pyrrolidin-2-one
Molecular weight387.502
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50125410
SCHEMBL6436853
5-[4-[(2R)-2beta-(3-Hydroxy-4-phenyl-1-butenyl)-5-oxopyrrolizino]butylthio]-1H-tetrazole
SCHEMBL6436855
(R)-5-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[4-(1H-tetrazol-5-ylsulfanyl)-butyl]-pyrrolidin-2-one
Inchi KeyCSYHDBJGSZIDDS-FNPGKKEOSA-N
Inchi IDInChI=1S/C19H25N5O2S/c25-17(14-15-6-2-1-3-7-15)10-8-16-9-11-18(26)24(16)12-4-5-13-27-19-20-22-23-21-19/h1-3,6-8,10,16-17,25H,4-5,9,11-14H2,(H,20,21,22,23)/b10-8+/t16-,17?/m0/s1
PubChem CID44269468
ChEMBLCHEMBL14600
IUPHARN/A
BindingDB50125410
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<13000.0 nMPMID12643927BindingDB,ChEMBL

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