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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

NameCHEMBL60613
Molecular formulaC25H29NO4
IUPAC name(5E)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(E)-naphthalen-2-ylmethoxyiminomethyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Molecular weight407.51
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsN/A
Inchi KeyBFCYVJPDWNFBQD-WCUUICJYSA-N
Inchi IDInChI=1S/C25H29NO4/c27-24-14-21-11-17(5-1-4-8-25(28)29)13-22(21)23(24)15-26-30-16-18-9-10-19-6-2-3-7-20(19)12-18/h2-3,5-7,9-10,12,15,21-24,27H,1,4,8,11,13-14,16H2,(H,28,29)/b17-5+,26-15+/t21-,22-,23+,24+/m0/s1
PubChem CID44304351
ChEMBLCHEMBL60613
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
CF31.0 -Bioorg. Med. Chem. Lett., (1993) 3:2:199ChEMBL

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