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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

NameCHEMBL385561
Molecular formulaC47H59N13O7
IUPAC name(2S,5R,8S,16S)-16-acetamido-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-7-[4-(diaminomethylideneamino)butyl]-2-(1H-imidazol-5-ylmethyl)-5-(naphthalen-2-ylmethyl)-3,6,13,17-tetraoxo-1,4,7,12-tetrazacycloheptadecane-8-carboxamide
Molecular weight918.073
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP0.9
SynonymsBDBM50200357
Ac-c[Glu-His-D-Nal(2)''-N-alpha-guanidinylbutyl-Orn]-Trp-NH2
Inchi KeyAULGFKPDQPFEDA-SCVWNAOWSA-N
Inchi IDInChI=1S/C47H59N13O7/c1-28(61)56-36-16-17-41(62)52-19-8-13-40(45(66)57-37(42(48)63)23-32-25-54-35-12-5-4-11-34(32)35)60(20-7-6-18-53-47(49)50)46(67)39(22-29-14-15-30-9-2-3-10-31(30)21-29)59-44(65)38(58-43(36)64)24-33-26-51-27-55-33/h2-5,9-12,14-15,21,25-27,36-40,54H,6-8,13,16-20,22-24H2,1H3,(H2,48,63)(H,51,55)(H,52,62)(H,56,61)(H,57,66)(H,58,64)(H,59,65)(H4,49,50,53)/t36-,37-,38-,39+,40-/m0/s1
PubChem CID44417402
ChEMBLCHEMBL385561
IUPHARN/A
BindingDB50200357
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.0 %PMID17154518ChEMBL
Activity50.0 %PMID17154518ChEMBL
IC50<1000.0 nMPMID17154518BindingDB,ChEMBL

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