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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

NameCHEMBL2028956
Molecular formulaC36H52F7N5O7
IUPAC name(2S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-ethylpiperazine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight799.829
Hydrogen bond acceptor16
Hydrogen bond donor6
XlogPNone
SynonymsBDBM50027173
Inchi KeyCCLYNCOQSZYJOF-ZRTVKXBHSA-N
Inchi IDInChI=1S/C32H50FN5O3.2C2HF3O2/c1-5-25-20-35-27(21-34-25)28(39)36-26(19-22-11-13-24(33)14-12-22)29(40)38-17-15-32(16-18-38,23-9-7-6-8-10-23)30(41)37-31(2,3)4;2*3-2(4,5)1(6)7/h11-14,23,25-27,34-35H,5-10,15-21H2,1-4H3,(H,36,39)(H,37,41);2*(H,6,7)/t25-,26-,27+;;/m1../s1
PubChem CID70692049
ChEMBLCHEMBL2028956
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Accumulation6.0 %PMID15808454ChEMBL

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