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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

NameCHEMBL185094
Molecular formulaC39H43ClFN5O2
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[1-[2-(2-fluorophenyl)ethylamino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight668.254
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.3
Synonyms1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-{1-[2-(2-fluoro-phenyl)-ethylamino]-ethyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
BDBM50152820
Inchi KeyACJLOAVPAVWLDZ-MIDVGDEHSA-N
Inchi IDInChI=1S/C39H43ClFN5O2/c1-27(42-19-18-29-8-4-6-12-34(29)41)33-11-5-7-13-37(33)45-20-22-46(23-21-45)39(48)36(24-28-14-16-32(40)17-15-28)44-38(47)35-25-30-9-2-3-10-31(30)26-43-35/h2-17,27,35-36,42-43H,18-26H2,1H3,(H,44,47)/t27?,35-,36-/m1/s1
PubChem CID44393889
ChEMBLCHEMBL185094
IUPHARN/A
BindingDB50152820
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
EC502060.0 nMPMID15357964BindingDB,ChEMBL
IA50.0 %PMID15357964ChEMBL
Ki33.0 nMPMID15357964BindingDB,ChEMBL

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