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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

NameCHEMBL392521
Molecular formulaC27H29N3O
IUPAC nameN-[[3-(aminomethyl)phenyl]methyl]-N-benzyl-4-(1H-indol-3-yl)butanamide
Molecular weight411.549
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50217631
N-(3-(methylamino)benzyl)-N-benzyl-4-(1H-indol-3-yl)butanamide
Inchi KeyCBGMYMPDXRUKPX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O/c28-17-22-10-6-11-23(16-22)20-30(19-21-8-2-1-3-9-21)27(31)15-7-12-24-18-29-26-14-5-4-13-25(24)26/h1-6,8-11,13-14,16,18,29H,7,12,15,17,19-20,28H2
PubChem CID44434849
ChEMBLCHEMBL392521
IUPHARN/A
BindingDB50217631
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki45000.0 nMPMID17618123BindingDB,ChEMBL

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