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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

NameCHEMBL125492
Molecular formulaC34H40ClFN4O3
IUPAC name(3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
Molecular weight607.167
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50138304
SCHEMBL4520740
(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}-piperazin-1-yl)-3-(4-chloro-benzyl)-N-(2-fluoro-benzyl)-4-oxo-butyramide
Inchi KeyBHPIELNHPBSWKO-AZKKKJBWSA-N
Inchi IDInChI=1S/C34H40ClFN4O3/c1-4-40(25(3)41)24(2)30-10-6-8-12-32(30)38-17-19-39(20-18-38)34(43)28(21-26-13-15-29(35)16-14-26)22-33(42)37-23-27-9-5-7-11-31(27)36/h5-16,24,28H,4,17-23H2,1-3H3,(H,37,42)/t24?,28-/m0/s1
PubChem CID44349469
ChEMBLCHEMBL125492
IUPHARN/A
BindingDB50138304
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID14698163BindingDB,ChEMBL

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