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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameRelaxin receptor 1
SpeciesHomo sapiens (Human)
GeneRXFP1
SynonymRelaxin family peptide receptor 1
RX1
relaxin/insulin like family peptide receptor 1
relaxin receptor 1
RXFPR1
[ Show all ]
DiseaseAcute heart failure
Length757
Amino acid sequenceMTSGSVFFYILIFGKYFSHGGGQDVKCSLGYFPCGNITKCLPQLLHCNGVDDCGNQADEDNCGDNNGWSLQFDKYFASYYKMTSQYPFEAETPECLVGSVPVQCLCQGLELDCDETNLRAVPSVSSNVTAMSLQWNLIRKLPPDCFKNYHDLQKLYLQNNKITSISIYAFRGLNSLTKLYLSHNRITFLKPGVFEDLHRLEWLIIEDNHLSRISPPTFYGLNSLILLVLMNNVLTRLPDKPLCQHMPRLHWLDLEGNHIHNLRNLTFISCSNLTVLVMRKNKINHLNENTFAPLQKLDELDLGSNKIENLPPLIFKDLKELSQLNLSYNPIQKIQANQFDYLVKLKSLSLEGIEISNIQQRMFRPLMNLSHIYFKKFQYCGYAPHVRSCKPNTDGISSLENLLASIIQRVFVWVVSAVTCFGNIFVICMRPYIRSENKLYAMSIISLCCADCLMGIYLFVIGGFDLKFRGEYNKHAQLWMESTHCQLVGSLAILSTEVSVLLLTFLTLEKYICIVYPFRCVRPGKCRTITVLILIWITGFIVAFIPLSNKEFFKNYYGTNGVCFPLHSEDTESIGAQIYSVAIFLGINLAAFIIIVFSYGSMFYSVHQSAITATEIRNQVKKEMILAKRFFFIVFTDALCWIPIFVVKFLSLLQVEIPGTITSWVVIFILPINSALNPILYTLTTRPFKEMIHRFWYNYRQRKSMDSKGQKTYAPSFIWVEMWPLQEMPPELMKPDLFTYPCEMSLISQSTRLNSYS
UniProtQ9HBX9
Protein Data Bank2jm4
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 2jm4.
BioLiPBL0101296
Therapeutic Target DatabaseT73696
ChEMBLCHEMBL1293316
IUPHAR351
DrugBankN/A

Ligand

NameN6-Cyclopentyladenosine
Molecular formulaC15H21N5O4
IUPAC name(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight335.364
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.9
SynonymsAJ-47612
D03RFA
MLS001077332
N6-cyclopentyladenosine (CPA)
PDSP2_001053
[ Show all ]
Inchi KeySQMWSBKSHWARHU-SDBHATRESA-N
Inchi IDInChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PubChem CID657378
ChEMBLCHEMBL68738
IUPHAR380
BindingDB25400
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency9765.4 nMPubChem BioAssay data setChEMBL
Potency14125.4 nMPubChem BioAssay data setChEMBL

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