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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

NameCHEMBL60555
Molecular formulaC19H32O5S
IUPAC name5-[[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]methylsulfanyl]pentanoic acid
Molecular weight372.52
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
Synonyms(11R,13E,15S)-9-Oxo-11,15-dihydroxy-6-thiaprosta-13-ene-1-oic acid
BDBM50101862
5-[(S)-(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentylmethylsulfanyl]-pentanoic acid
Inchi KeyCWUOLAUUOCLFCW-ZVBMZXMJSA-N
Inchi IDInChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-15-16(18(22)12-17(15)21)13-25-11-6-5-8-19(23)24/h9-10,14-17,20-21H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,17+/m0/s1
PubChem CID44304334
ChEMBLCHEMBL60555
IUPHARN/A
BindingDB50101862
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1400.0 nMPMID11454474BindingDB,ChEMBL

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