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GPCR

NameMelanocortin receptor 3
SpeciesHomo sapiens (Human)
GeneMC3R
SynonymMC3-R
melanocortin receptor 3
MC3 receptor
gamma-MSH receptor
DiseaseSexual dysfunction; Obesity; Type 2 diabetes
Length323
Amino acid sequenceMNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
UniProtP41968
Protein Data BankN/A
GPCR-HGmod modelP41968
3D structure modelThis predicted structure model is from GPCR-EXP P41968.
BioLiPN/A
Therapeutic Target DatabaseT76846
ChEMBLCHEMBL4644
IUPHAR284
DrugBankN/A

Ligand

NameCHEMBL365237
Molecular formulaC31H43Cl2N5O2
IUPAC name3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[1-[(2-phenylethylamino)methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]propanamide
Molecular weight588.618
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.3
SynonymsBDBM50168658
3-Amino-N-((R)-1-(2,4-dichloro-benzyl)-2-oxo-2-{4-[1-(phenethylamino-methyl)-cyclohexyl]-piperazin-1-yl}-ethyl)-propionamide
Inchi KeyAJQRPIIDOYMRCS-MUUNZHRXSA-N
Inchi IDInChI=1S/C31H43Cl2N5O2/c32-26-10-9-25(27(33)22-26)21-28(36-29(39)11-15-34)30(40)37-17-19-38(20-18-37)31(13-5-2-6-14-31)23-35-16-12-24-7-3-1-4-8-24/h1,3-4,7-10,22,28,35H,2,5-6,11-21,23,34H2,(H,36,39)/t28-/m1/s1
PubChem CID44397281
ChEMBLCHEMBL365237
IUPHARN/A
BindingDB50168658
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3200.0 nMPMID15950470BindingDB,ChEMBL

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