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GPCR

NameMelanocortin receptor 4
SpeciesHomo sapiens (Human)
GeneMC4R
SynonymMC4-R
MC4 receptor
DiseaseObesity; Sexual dysfunction
Obesity; Diabetes
Obesity
Metabolic disorders
Sexual dysfunction
[ Show all ]
Length332
Amino acid sequenceMVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProtP32245
Protein Data BankN/A
GPCR-HGmod modelP32245
3D structure modelThis predicted structure model is from GPCR-EXP P32245.
BioLiPN/A
Therapeutic Target DatabaseT72458
ChEMBLCHEMBL259
IUPHAR285
DrugBankN/A

Ligand

NameCHEMBL402017
Molecular formulaC34H48ClN5O3
IUPAC nameN-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-2-(methylamino)acetamide
Molecular weight610.24
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50373499
Inchi KeyAFYRPFJWRJINKI-VATRQPNGSA-N
Inchi IDInChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)20-36-4)28-19-24(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-22-40(27-11-17-43-18-12-27)21-29(30)25-6-8-26(35)9-7-25/h5-10,19,23,27,29-30,33,36H,11-18,20-22H2,1-4H3,(H,37,41)/t29-,30+,33-/m0/s1
PubChem CID44456137
ChEMBLCHEMBL402017
IUPHARN/A
BindingDB50373499
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5019.0 nMPMID18032040BindingDB,ChEMBL
Intrinsic activity84.0 %PMID18032040ChEMBL
Ki2.1 nMPMID18032040BindingDB,ChEMBL

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