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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

NameCHEMBL361210
Molecular formulaC35H44ClN5O2
IUPAC nameN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]-3-phenylpropanamide
Molecular weight602.22
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50160542
N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-(4-{2-[1-(piperidin-3-ylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-3-phenyl-propionamide
Inchi KeyAGLVBYARDIXEPC-AKLHMHDGSA-N
Inchi IDInChI=1S/C35H44ClN5O2/c1-26(38-30-10-7-19-37-25-30)31-11-5-6-12-33(31)40-20-22-41(23-21-40)35(43)32(24-28-13-16-29(36)17-14-28)39-34(42)18-15-27-8-3-2-4-9-27/h2-6,8-9,11-14,16-17,26,30,32,37-38H,7,10,15,18-25H2,1H3,(H,39,42)/t26?,30?,32-/m1/s1
PubChem CID44391404
ChEMBLCHEMBL361210
IUPHARN/A
BindingDB50160542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IA31.0 %PMID15664867ChEMBL
Ki33.0 nMPMID15664867BindingDB,ChEMBL

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