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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

NameCHEMBL438672
Molecular formulaC22H25N3O
IUPAC nameN-(3-aminopropyl)-2-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
Molecular weight347.462
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50217633
N-(3-aminopropyl)-N-cinnamyl-2-(1H-indol-3-yl)acetamide
Inchi KeyBULJTYRRPRXFMJ-UXBLZVDNSA-N
Inchi IDInChI=1S/C22H25N3O/c23-13-7-15-25(14-6-10-18-8-2-1-3-9-18)22(26)16-19-17-24-21-12-5-4-11-20(19)21/h1-6,8-12,17,24H,7,13-16,23H2/b10-6+
PubChem CID10291369
ChEMBLCHEMBL438672
IUPHARN/A
BindingDB50217633
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki21000.0 nMPMID17618123BindingDB,ChEMBL

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