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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

NameCHEMBL429451
Molecular formulaC35H49N3O3
IUPAC nameN-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(1H-indol-3-yl)butanamide
Molecular weight559.795
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM50217724
N-(3-ethoxy-4-methoxybenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
Inchi KeyDPVIKABSFORINW-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H49N3O3/c1-3-41-34-22-27(15-20-33(34)40-2)24-38(30-18-13-26(14-19-30)21-25-11-16-29(36)17-12-25)35(39)10-6-7-28-23-37-32-9-5-4-8-31(28)32/h4-5,8-9,15,20,22-23,25-26,29-30,37H,3,6-7,10-14,16-19,21,24,36H2,1-2H3
PubChem CID44434693
ChEMBLCHEMBL429451
IUPHARN/A
BindingDB50217724
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
Ki16000.0 nMPMID17618123BindingDB,ChEMBL

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