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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

NameCHEMBL215974
Molecular formulaC25H30Cl2F3N3O
IUPAC name1-[4-[2-(1-aminopentyl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
Molecular weight516.43
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50189236
1-(4-(2-(1-aminopentyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one
Inchi KeyADRDTTJUTJRJPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30Cl2F3N3O/c1-2-3-4-22(31)20-15-18(25(28,29)30)7-9-23(20)32-11-13-33(14-12-32)24(34)10-6-17-5-8-19(26)16-21(17)27/h5,7-9,15-16,22H,2-4,6,10-14,31H2,1H3
PubChem CID44415522
ChEMBLCHEMBL215974
IUPHARN/A
BindingDB50189236
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
Ki190.0 nMPMID16777413BindingDB,ChEMBL

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