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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

Name2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(2-morpholinoethyl)acetamide
Molecular formulaC20H21N3O4
IUPAC name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
Molecular weight367.405
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
Synonyms2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide
CCG-113587
MolPort-000-691-592
AC1MEQSG
EU-0080329
[ Show all ]
Inchi KeyABZVMHMVMBBBNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O4/c24-17(21-7-8-22-9-11-27-12-10-22)13-23-19(25)15-5-1-3-14-4-2-6-16(18(14)15)20(23)26/h1-6H,7-13H2,(H,21,24)
PubChem CID2859630
ChEMBLCHEMBL1408014
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
Potency14125.4 nMPubChem BioAssay data setChEMBL
Potency19438.4 nMPubChem BioAssay data setChEMBL

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