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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

NameCHEMBL75475
Molecular formulaC25H40N6O3
IUPAC name(2S)-2-acetamido-N-[4-[acetyl(methyl)amino]cyclohexyl]-N-[4-(diaminomethylideneamino)butyl]-3-phenylpropanamide
Molecular weight472.634
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.1
Synonyms(S)-2-Acetylamino-N-[4-(acetyl-methyl-amino)-cyclohexyl]-N-(4-guanidino-butyl)-3-phenyl-propionamide
BDBM50130013
Inchi KeyAAIWNEBXEQQZCB-VNXZQDSDSA-N
Inchi IDInChI=1S/C25H40N6O3/c1-18(32)29-23(17-20-9-5-4-6-10-20)24(34)31(16-8-7-15-28-25(26)27)22-13-11-21(12-14-22)30(3)19(2)33/h4-6,9-10,21-23H,7-8,11-17H2,1-3H3,(H,29,32)(H4,26,27,28)/t21?,22?,23-/m0/s1
PubChem CID44315335
ChEMBLCHEMBL75475
IUPHARN/A
BindingDB50130013
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID12824029BindingDB,ChEMBL

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