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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

NameCHEMBL454916
Molecular formulaC28H38Cl2N4O3
IUPAC nameN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(dimethylamino)acetamide
Molecular weight549.537
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50245765
N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-hydroxy-3-methylbutyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)-2-(dimethylamino)acetamide
Inchi KeyADIWESTUTGHTPP-RMVMEJTISA-N
Inchi IDInChI=1S/C28H38Cl2N4O3/c1-19(2)15-26(35)22-7-5-6-8-25(22)33-11-13-34(14-12-33)28(37)24(31-27(36)18-32(3)4)16-20-9-10-21(29)17-23(20)30/h5-10,17,19,24,26,35H,11-16,18H2,1-4H3,(H,31,36)/t24-,26?/m1/s1
PubChem CID25211670
ChEMBLCHEMBL454916
IUPHARN/A
BindingDB50245765
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50250.0 nMPMID18682322BindingDB,ChEMBL
Inhibition36.0 %PMID18682322ChEMBL
Ki9.6 nMPMID18682322BindingDB,ChEMBL

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