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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

NameMLS001043278
Molecular formulaC25H14O7
IUPAC name(7R)-10-hydroxy-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
Molecular weight426.38
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
Synonyms(7R)-10-hydroxy-7-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-7H-[1]benzopyrano[3,2-c][1]benzopyran-6-one
BDBM66067
SMR000415059
(7R)-10-oxidanyl-7-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
CHEMBL1532491
[ Show all ]
Inchi KeyAFUYGYGEPFCEIX-LJQANCHMSA-N
Inchi IDInChI=1S/C25H14O7/c26-12-9-10-13-18(11-12)30-23-15-6-2-4-8-17(15)32-25(29)21(23)19(13)20-22(27)14-5-1-3-7-16(14)31-24(20)28/h1-11,19,26-27H/t19-/m1/s1
PubChem CID54677747
ChEMBLCHEMBL1532491
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
Potency17782.8 nMPubChem BioAssay data setChEMBL

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