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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

NameCHEMBL309213
Molecular formulaC38H47N11O5
IUPAC name(2R)-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-(butylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanamide
Molecular weight737.866
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP1.5
SynonymsBDBM50116870
(S)-2-Butylamino-N-{(R)-1-[(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-3-(3H-imidazol-4-yl)-propionamide
Inchi KeyBYYGKIBKXHSGBW-YGXYGYJOSA-N
Inchi IDInChI=1S/C38H47N11O5/c1-2-3-13-42-30(16-26-19-40-22-45-26)36(52)47-31(14-24-9-5-4-6-10-24)37(53)49-33(17-27-20-41-23-46-27)38(54)48-32(35(51)44-21-34(39)50)15-25-18-43-29-12-8-7-11-28(25)29/h4-12,18-20,22-23,30-33,42-43H,2-3,13-17,21H2,1H3,(H2,39,50)(H,40,45)(H,41,46)(H,44,51)(H,47,52)(H,48,54)(H,49,53)/t30-,31+,32-,33-/m0/s1
PubChem CID44317053
ChEMBLCHEMBL309213
IUPHARN/A
BindingDB50116870
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC501420.0 nMPMID12161144BindingDB,ChEMBL

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