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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

NameCHEMBL267360
Molecular formulaC45H63N12O9S+
IUPAC name(3R,9S,12S,20S,23S,26S)-12-[[(2S)-2-acetamidohexanoyl]amino]-23-(1H-indol-3-ylmethyl)-9-[(3-methyl-1H-imidazol-3-ium-5-yl)methyl]-2,8,11,14,22,25-hexaoxo-4-thia-1,7,10,15,21,24-hexazatricyclo[24.3.0.03,7]nonacosane-20-carboxamide
Molecular weight948.134
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP0.4
SynonymsN/A
Inchi KeyAIZHWXFTASQVBK-ZPRPHTNVSA-O
Inchi IDInChI=1S/C45H62N12O9S/c1-4-5-12-32(50-26(2)58)39(61)52-34-22-37(59)47-16-9-8-14-31(38(46)60)51-40(62)33(20-27-23-48-30-13-7-6-11-29(27)30)53-42(64)36-15-10-17-56(36)44(66)45-57(18-19-67-45)43(65)35(54-41(34)63)21-28-24-55(3)25-49-28/h6-7,11,13,23-25,31-36,45,48H,4-5,8-10,12,14-22H2,1-3H3,(H8,46,47,50,51,52,53,54,58,59,60,61,62,63,64)/p+1/t31-,32-,33-,34-,35-,36-,45+/m0/s1
PubChem CID44422995
ChEMBLCHEMBL267360
IUPHARN/A
BindingDBN/A
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
Activity2.0 %PMID17455928ChEMBL
IC50<5000.0 nMPMID17455928ChEMBL

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