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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

NameCHEMBL394160
Molecular formulaC29H40ClFN4O
IUPAC name[4-[2-[(1S)-1-amino-2-methylpropyl]-6-fluorophenyl]piperazin-1-yl]-[(3S,4R)-4-(4-chlorophenyl)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
Molecular weight515.114
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50224673
(4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isobutylpyrrolidin-3-yl)methanone
Inchi KeyAAQQSWWMBVNKIB-WEWMWRJBSA-N
Inchi IDInChI=1S/C29H40ClFN4O/c1-19(2)16-33-17-24(21-8-10-22(30)11-9-21)25(18-33)29(36)35-14-12-34(13-15-35)28-23(27(32)20(3)4)6-5-7-26(28)31/h5-11,19-20,24-25,27H,12-18,32H2,1-4H3/t24-,25+,27-/m0/s1
PubChem CID44433475
ChEMBLCHEMBL394160
IUPHARN/A
BindingDB50224673
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
EC501400.0 nMPMID17933528BindingDB,ChEMBL
Intrinsic activity52.0 %PMID17933528ChEMBL
Ki43.0 nMPMID17933528BindingDB,ChEMBL

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