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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 2
SpeciesHomo sapiens (Human)
GeneRXFP2
SynonymRXFPR2
RXFP2
relaxin/insulin like family peptide receptor 2
relaxin receptor 2
Relaxin family peptide receptor 2
[ Show all ]
DiseaseN/A
Length754
Amino acid sequenceMIVFLVFKHLFSLRLITMFFLLHFIVLINVKDFALTQGSMITPSCQKGYFPCGNLTKCLPRAFHCDGKDDCGNGADEENCGDTSGWATIFGTVHGNANSVALTQECFLKQYPQCCDCKETELECVNGDLKSVPMISNNVTLLSLKKNKIHSLPDKVFIKYTKLKKIFLQHNCIRHISRKAFFGLCNLQILYLNHNCITTLRPGIFKDLHQLTWLILDDNPITRISQRLFTGLNSLFFLSMVNNYLEALPKQMCAQMPQLNWVDLEGNRIKYLTNSTFLSCDSLTVLFLPRNQIGFVPEKTFSSLKNLGELDLSSNTITELSPHLFKDLKLLQKLNLSSNPLMYLHKNQFESLKQLQSLDLERIEIPNINTRMFQPMKNLSHIYFKNFRYCSYAPHVRICMPLTDGISSFEDLLANNILRIFVWVIAFITCFGNLFVIGMRSFIKAENTTHAMSIKILCCADCLMGVYLFFVGIFDIKYRGQYQKYALLWMESVQCRLMGFLAMLSTEVSVLLLTYLTLEKFLVIVFPFSNIRPGKRQTSVILICIWMAGFLIAVIPFWNKDYFGNFYGKNGVCFPLYYDQTEDIGSKGYSLGIFLGVNLLAFLIIVFSYITMFCSIQKTALQTTEVRNCFGREVAVANRFFFIVFSDAICWIPVFVVKILSLFRVEIPDTMTSWIVIFFLPVNSALNPILYTLTTNFFKDKLKQLLHKHQRKSIFKIKKKSLSTSIVWIEDSSSLKLGVLNKITLGDSIMKPVS
UniProtQ8WXD0
Protein Data Bank2m96
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 2m96.
BioLiPBL0278456
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1628482
IUPHARN/A
DrugBankN/A

Ligand

NameAC1MFZXS
Molecular formulaC23H27N5O3
IUPAC name7-cyclopentyl-6-imino-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight421.501
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.6
Synonyms7-cyclopentyl-6-imino-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
EU-0014240
AKOS016299144
MLS001217740
1-Cyclopentyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
[ Show all ]
Inchi KeyGGMIFFPFTQSWTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O3/c1-14-6-4-10-27-20(14)26-21-18(23(27)30)12-17(19(24)28(21)15-7-2-3-8-15)22(29)25-13-16-9-5-11-31-16/h4,6,10,12,15-16,24H,2-3,5,7-9,11,13H2,1H3,(H,25,29)
PubChem CID2928283
ChEMBLCHEMBL1605019
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
Potency34649.1 nMPubChem BioAssay data setChEMBL

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