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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

NameCHEMBL268395
Molecular formulaC27H33N3O
IUPAC nameN-[(1R,2R)-2-aminocyclohexyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
Molecular weight415.581
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50217701
N-((1R,2R)-2-aminocyclohexyl)-N-cinnamyl-4-(1H-indol-3-yl)butanamide
Inchi KeyCTWATJKCCUTZQI-OAOUBSARSA-N
Inchi IDInChI=1S/C27H33N3O/c28-24-15-5-7-17-26(24)30(19-9-12-21-10-2-1-3-11-21)27(31)18-8-13-22-20-29-25-16-6-4-14-23(22)25/h1-4,6,9-12,14,16,20,24,26,29H,5,7-8,13,15,17-19,28H2/b12-9+/t24-,26-/m1/s1
PubChem CID44434853
ChEMBLCHEMBL268395
IUPHARN/A
BindingDB50217701
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki62000.0 nMPMID17618123BindingDB,ChEMBL

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