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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

NameSMR000363287
Molecular formulaC17H19ClN2O7S2
IUPAC name4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate
Molecular weight462.916
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.2
SynonymsAC1M4IFE
MLS001018814
MLS003911232
CHEMBL1423887
MolPort-009-217-181
[ Show all ]
Inchi KeyAJECNCFBLCRTNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN2O7S2/c1-12-16(28-11-19(12)7-2-3-9-29(24,25)26)6-8-27-17(21)14-10-13(20(22)23)4-5-15(14)18/h4-5,10-11H,2-3,6-9H2,1H3
PubChem CID2308387
ChEMBLCHEMBL1423887
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
Potency25118.9 nMPubChem BioAssay data setChEMBL
Potency54915.1 nMPubChem BioAssay data setChEMBL

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