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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

NameCHEMBL441532
Molecular formulaC29H32Cl2N6O3
IUPAC nameN-[[2-[4-[(2R)-2-(3-aminopropanoylamino)-3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]pyridin-3-yl]methyl]benzamide
Molecular weight583.514
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50186892
(R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlorophenyl)propanoyl)piperazin-1-yl)pyridin-3-yl)methyl)benzamide
Inchi KeyAHEQLHPQBXIPCC-RUZDIDTESA-N
Inchi IDInChI=1S/C29H32Cl2N6O3/c30-23-9-8-21(24(31)18-23)17-25(35-26(38)10-11-32)29(40)37-15-13-36(14-16-37)27-22(7-4-12-33-27)19-34-28(39)20-5-2-1-3-6-20/h1-9,12,18,25H,10-11,13-17,19,32H2,(H,34,39)(H,35,38)/t25-/m1/s1
PubChem CID44412676
ChEMBLCHEMBL441532
IUPHARN/A
BindingDB50186892
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1800.0 nMPMID16697187BindingDB,ChEMBL

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