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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

NameCHEMBL189378
Molecular formulaC30H27NO3
IUPAC name2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenyl]acetic acid
Molecular weight449.55
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.6
Synonyms{3-[(S)-2-(4,5-Diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-phenyl}-acetic acid
BDBM50165944
SCHEMBL7959727
Inchi KeyCSDQJTVCSKACSP-VWLOTQADSA-N
Inchi IDInChI=1S/C30H27NO3/c32-27(33)20-22-11-9-10-21(18-22)19-25-16-7-8-17-26(25)30-31-28(23-12-3-1-4-13-23)29(34-30)24-14-5-2-6-15-24/h1-6,9-15,17-18,25H,7-8,16,19-20H2,(H,32,33)/t25-/m0/s1
PubChem CID44400189
ChEMBLCHEMBL189378
IUPHARN/A
BindingDB50165944
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki170.0 nMPMID15857112BindingDB,ChEMBL

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