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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

NameCHEMBL3600838
Molecular formulaC56H75N15O9
IUPAC name(3S,6S,9R,12S,15S,23S)-15-[[(2R)-2-acetamidohexanoyl]amino]-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-1,10-dimethyl-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxamide
Molecular weight1102.31
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP1.6
SynonymsBDBM50112895
Inchi KeyAWLXWEMCGRJJAO-ABFVQYSZSA-N
Inchi IDInChI=1S/C56H75N15O9/c1-5-6-17-41(65-33(2)72)50(75)67-43-29-48(73)61-23-12-11-20-46(49(57)74)70(3)54(79)44(27-37-30-63-40-18-10-9-16-39(37)40)68-51(76)42(19-13-24-62-56(58)59)66-53(78)47(26-34-21-22-35-14-7-8-15-36(35)25-34)71(4)55(80)45(69-52(43)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,78)(H,67,75)(H,68,76)(H,69,77)(H4,58,59,62)/t41-,42+,43+,44+,45+,46+,47-/m1/s1
PubChem CID122184577
ChEMBLCHEMBL3600838
IUPHARN/A
BindingDB50112895
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
%max22.0 %PMID26218460ChEMBL
EC50709.0 nMPMID26218460BindingDB,ChEMBL
Efficacy90.0 %PMID26218460ChEMBL
IC50795.0 nMPMID26218460BindingDB,ChEMBL

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