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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

NameMLS001004438
Molecular formulaC18H16Cl2N2O4
IUPAC name[2-(N-methylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
Molecular weight395.236
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
Synonyms2-[(2,4-dichlorobenzoyl)amino]acetic acid [2-keto-2-(N-methylanilino)ethyl] ester
CHEMBL1344943
ZINC3374821
MCULE-1181303701
[methyl(phenyl)carbamoyl]methyl 2-[(2,4-dichlorophenyl)formamido]acetate
[ Show all ]
Inchi KeyAJDUDPWRLIMVAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16Cl2N2O4/c1-22(13-5-3-2-4-6-13)16(23)11-26-17(24)10-21-18(25)14-8-7-12(19)9-15(14)20/h2-9H,10-11H2,1H3,(H,21,25)
PubChem CID2492526
ChEMBLCHEMBL1344943
IUPHARN/A
BindingDB88635
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<64595.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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