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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

NameCHEMBL381503
Molecular formulaC34H44ClN5O3
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(2-oxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight606.208
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.3
SynonymsBDBM50179133
(R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((2-oxoimidazolidin-1-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi KeyBBYTXRAQNPWSMC-LOYHVIPDSA-N
Inchi IDInChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1
PubChem CID44408252
ChEMBLCHEMBL381503
IUPHARN/A
BindingDB50179133
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
%max23.0 %PMID16364639ChEMBL
EC50880.0 nMPMID16364639BindingDB,ChEMBL
IC50520.0 nMPMID16364639BindingDB,ChEMBL

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