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GPCR

NameMelanocortin receptor 4
SpeciesHomo sapiens (Human)
GeneMC4R
SynonymMC4-R
MC4 receptor
DiseaseObesity; Sexual dysfunction
Obesity; Diabetes
Obesity
Metabolic disorders
Sexual dysfunction
[ Show all ]
Length332
Amino acid sequenceMVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProtP32245
Protein Data BankN/A
GPCR-HGmod modelP32245
3D structure modelThis predicted structure model is from GPCR-EXP P32245.
BioLiPN/A
Therapeutic Target DatabaseT72458
ChEMBLCHEMBL259
IUPHAR285
DrugBankN/A

Ligand

NameCHEMBL396429
Molecular formulaC32H42ClF3N4O3
IUPAC nametert-butyl (3S,4R)-3-[4-[2-[(1S)-1-amino-3-methylbutyl]-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4-(4-chlorophenyl)pyrrolidine-1-carboxylate
Molecular weight623.158
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50224675
(3S,4R)-tert-butyl 3-(1-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazine-4-carbonyl)-4-(4-chlorophenyl)pyrrolidine-1-carboxylate
Inchi KeyAOLMHZJVJOCHOG-VJGNERBWSA-N
Inchi IDInChI=1S/C32H42ClF3N4O3/c1-20(2)16-27(37)24-17-22(32(34,35)36)8-11-28(24)38-12-14-39(15-13-38)29(41)26-19-40(30(42)43-31(3,4)5)18-25(26)21-6-9-23(33)10-7-21/h6-11,17,20,25-27H,12-16,18-19,37H2,1-5H3/t25-,26+,27-/m0/s1
PubChem CID44433379
ChEMBLCHEMBL396429
IUPHARN/A
BindingDB50224675
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
Intrinsic activity32.0 %PMID17933528ChEMBL
Ki390.0 nMPMID17933528BindingDB,ChEMBL

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