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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

NameCHEMBL2113028
Molecular formulaC35H54FN5O5
IUPAC nametert-butyl (2S)-2-[[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
Molecular weight643.845
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50157320
CHEMBL558814
(S)-1-Methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide; dihydrochloride
Inchi KeyAUJXVLHOWUBHBM-IZLXSDGUSA-N
Inchi IDInChI=1S/C35H54FN5O5/c1-33(2,3)39-31(44)35(25-10-8-7-9-11-25)16-19-40(20-17-35)30(43)27(22-24-12-14-26(36)15-13-24)38-29(42)28-23-37-18-21-41(28)32(45)46-34(4,5)6/h12-15,25,27-28,37H,7-11,16-23H2,1-6H3,(H,38,42)(H,39,44)/t27-,28+/m1/s1
PubChem CID71449119
ChEMBLCHEMBL2113028
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
cAMP accumulation10.0 %PMID15582434ChEMBL

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