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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

NameCHEMBL601299
Molecular formulaC20H14Cl3NO3S
IUPAC name4-[[[2,5-dichloro-4-[(3-chlorophenyl)methyl]thiophene-3-carbonyl]amino]methyl]benzoic acid
Molecular weight454.746
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.4
SynonymsBDBM50308134
SCHEMBL2349826
4-[({[2,5-Dichloro-4-(3-chlorobenzyl)-3-thienyl]carbonyl}amino)methyl]benzoic acid
Inchi KeyBGASCMMYJZPCSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14Cl3NO3S/c21-14-3-1-2-12(8-14)9-15-16(18(23)28-17(15)22)19(25)24-10-11-4-6-13(7-5-11)20(26)27/h1-8H,9-10H2,(H,24,25)(H,26,27)
PubChem CID24953285
ChEMBLCHEMBL601299
IUPHARN/A
BindingDB50308134
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<628.0 nMPMID20163116BindingDB,ChEMBL

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