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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

NameCHEMBL2113139
Molecular formulaC38H40ClN5O4S
IUPAC name(3R)-N-[(2R)-1-[4-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight698.279
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.1
SynonymsN/A
Inchi KeyCHKKKMVWAASWKU-VSJLXWSYSA-N
Inchi IDInChI=1S/C38H40ClN5O4S/c39-31-15-13-27(14-16-31)23-35(41-37(45)34-24-29-7-4-5-8-30(29)25-40-34)38(46)43-21-19-42(20-22-43)36-12-6-9-28-17-18-44(26-33(28)36)49(47,48)32-10-2-1-3-11-32/h1-16,34-35,40H,17-26H2,(H,41,45)/t34-,35-/m1/s1
PubChem CID71452732
ChEMBLCHEMBL2113139
IUPHARN/A
BindingDBN/A
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
Ki2500.0 nMPMID16112861ChEMBL

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