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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

NameCHEMBL262319
Molecular formulaC33H37Cl2F3N4O
IUPAC name[4-[2-[(1S)-1-amino-2-methylpropyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[(3S,4R)-1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-yl]methanone
Molecular weight633.581
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50224679
trans-(4-(2-((S)-1-amino-2-methylpropyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)((3S,4R)-1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-yl)methanone
Inchi KeyACRMJAQSELDLDA-QXIHQKPUSA-N
Inchi IDInChI=1S/C33H37Cl2F3N4O/c1-21(2)31(39)26-16-23(33(36,37)38)8-11-30(26)41-12-14-42(15-13-41)32(43)28-20-40(18-22-6-4-3-5-7-22)19-27(28)25-10-9-24(34)17-29(25)35/h3-11,16-17,21,27-28,31H,12-15,18-20,39H2,1-2H3/t27-,28+,31-/m0/s1
PubChem CID44433564
ChEMBLCHEMBL262319
IUPHARN/A
BindingDB50224679
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
Ki610.0 nMPMID17933528BindingDB,ChEMBL

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