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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

NameCHEMBL138520
Molecular formulaC22H31FO5
IUPAC name7-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]cyclopentyl]-6-oxoheptanoic acid
Molecular weight394.483
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
SynonymsN/A
Inchi KeyBDSTUZJHCASZCJ-SZOCEBHJSA-N
Inchi IDInChI=1S/C22H31FO5/c1-3-4-5-8-15(2)20(25)12-11-17-18(19(23)14-21(17)26)13-16(24)9-6-7-10-22(27)28/h15,17-21,25-26H,3,6-10,13-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19+,20+,21+/m0/s1
PubChem CID15024625
ChEMBLCHEMBL138520
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
KF32.0 -Bioorg. Med. Chem. Lett., (1992) 2:5:445ChEMBL

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