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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

NameCHEMBL9541
Molecular formulaC16H15N3O2S
IUPAC name4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoic acid
Molecular weight313.375
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.7
SynonymsDTXSID00465231
BDBM50223836
SCHEMBL5806616
Benzoic acid, 4-[[4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl]thio]-
CTK1J2992
[ Show all ]
Inchi KeyCGEBRDJCQDVYMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15N3O2S/c20-15(21)11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)19-16-17-9-10-18-16/h1-8H,9-10H2,(H,20,21)(H2,17,18,19)
PubChem CID11415742
ChEMBLCHEMBL9541
IUPHARN/A
BindingDB50223836
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki>10000.0 nMPMID15013022BindingDB,ChEMBL

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