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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

NameCHEMBL2113144
Molecular formulaC33H37ClN4O2
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight557.135
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.8
SynonymsN/A
Inchi KeyAGARXGRVNIJDFP-LOYHVIPDSA-N
Inchi IDInChI=1S/C33H37ClN4O2/c34-27-14-12-23(13-15-27)20-30(36-32(39)29-21-25-7-1-2-8-26(25)22-35-29)33(40)38-18-16-37(17-19-38)31-11-5-9-24-6-3-4-10-28(24)31/h1-2,5,7-9,11-15,29-30,35H,3-4,6,10,16-22H2,(H,36,39)/t29-,30-/m1/s1
PubChem CID71461657
ChEMBLCHEMBL2113144
IUPHARN/A
BindingDBN/A
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
Ki1200.0 nMPMID16112861ChEMBL

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