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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

NameCHEMBL402769
Molecular formulaC32H41ClF3N3O2
IUPAC nameN-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
Molecular weight592.144
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50373474
Inchi KeyPNFDTYPRKXTXAO-ULNSLHSMSA-N
Inchi IDInChI=1S/C32H41ClF3N3O2/c1-6-29(37-20(2)40)26-17-24(33)11-12-25(26)22-13-15-38(16-14-22)30(41)28-19-39(31(3,4)5)18-27(28)21-7-9-23(10-8-21)32(34,35)36/h7-12,17,22,27-29H,6,13-16,18-19H2,1-5H3,(H,37,40)/t27-,28+,29+/m1/s1
PubChem CID24857886
ChEMBLCHEMBL402769
IUPHARN/A
BindingDB50373474
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity8.0 %PMID18479920ChEMBL
IC503777.0 nMPMID18479920BindingDB,ChEMBL

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