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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

NameCHEMBL428022
Molecular formulaC23H26ClN3O
IUPAC nameN-(2-aminoethyl)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(1H-indol-3-yl)butanamide
Molecular weight395.931
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50217673
(Z)-N-(2-aminoethyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
Inchi KeyCCKWXYYVMDONEI-HKWRFOASSA-N
Inchi IDInChI=1S/C23H26ClN3O/c24-20(15-18-7-2-1-3-8-18)17-27(14-13-25)23(28)12-6-9-19-16-26-22-11-5-4-10-21(19)22/h1-5,7-8,10-11,15-16,26H,6,9,12-14,17,25H2/b20-15-
PubChem CID44434572
ChEMBLCHEMBL428022
IUPHARN/A
BindingDB50217673
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki65000.0 nMPMID17618123BindingDB,ChEMBL

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