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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

NameAC1MFEFV
Molecular formulaC20H16N2O6S2
IUPAC namemethyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Molecular weight444.476
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.0
SynonymsSR-01000245807-1
methyl 2-[3-hydroxy-4-(5-methylfuran-2-carbonyl)-2-oxo-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
MLS001035365
SMR000665029
MCULE-1849220348
[ Show all ]
Inchi KeyGTOVRBJSKUYDAZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16N2O6S2/c1-9-6-7-11(28-9)15(23)13-14(12-5-4-8-29-12)22(18(25)16(13)24)20-21-10(2)17(30-20)19(26)27-3/h4-8,14,24H,1-3H3
PubChem CID2917979
ChEMBLCHEMBL1389475
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
Potency9742.3 nMPubChem BioAssay data setChEMBL
Potency10931.0 nMPubChem BioAssay data setChEMBL
Potency12589.3 nMPubChem BioAssay data setChEMBL

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