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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

NameCHEMBL188651
Molecular formulaC29H39Cl2N5O3S
IUPAC name3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexyl]piperazin-1-yl]propan-2-yl]propanamide
Molecular weight608.623
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50168642
3-Amino-N-[(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-(4-{1-[(2-thiophen-2-yl-acetylamino)-methyl]-cyclohexyl}-piperazin-1-yl)-ethyl]-propionamide
Inchi KeyAWDCZSOETVHKLV-RUZDIDTESA-N
Inchi IDInChI=1S/C29H39Cl2N5O3S/c30-22-7-6-21(24(31)18-22)17-25(34-26(37)8-11-32)28(39)35-12-14-36(15-13-35)29(9-2-1-3-10-29)20-33-27(38)19-23-5-4-16-40-23/h4-7,16,18,25H,1-3,8-15,17,19-20,32H2,(H,33,38)(H,34,37)/t25-/m1/s1
PubChem CID44397030
ChEMBLCHEMBL188651
IUPHARN/A
BindingDB50168642
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1100.0 nMPMID15950470BindingDB,ChEMBL

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