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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

NameCHEMBL75475
Molecular formulaC25H40N6O3
IUPAC name(2S)-2-acetamido-N-[4-[acetyl(methyl)amino]cyclohexyl]-N-[4-(diaminomethylideneamino)butyl]-3-phenylpropanamide
Molecular weight472.634
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.1
SynonymsBDBM50130013
(S)-2-Acetylamino-N-[4-(acetyl-methyl-amino)-cyclohexyl]-N-(4-guanidino-butyl)-3-phenyl-propionamide
Inchi KeyAAIWNEBXEQQZCB-VNXZQDSDSA-N
Inchi IDInChI=1S/C25H40N6O3/c1-18(32)29-23(17-20-9-5-4-6-10-20)24(34)31(16-8-7-15-28-25(26)27)22-13-11-21(12-14-22)30(3)19(2)33/h4-6,9-10,21-23H,7-8,11-17H2,1-3H3,(H,29,32)(H4,26,27,28)/t21?,22?,23-/m0/s1
PubChem CID44315335
ChEMBLCHEMBL75475
IUPHARN/A
BindingDB50130013
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID12824029BindingDB,ChEMBL

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