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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

NameCHEMBL403420
Molecular formulaC35H44ClN3O2
IUPAC nameN-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-naphthalen-2-ylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
Molecular weight574.206
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50373470
Inchi KeyBKPWIYNAJFNIBS-DSPMFFIESA-N
Inchi IDInChI=1S/C35H44ClN3O2/c1-6-33(37-23(2)40)30-20-28(36)13-14-29(30)25-15-17-38(18-16-25)34(41)32-22-39(35(3,4)5)21-31(32)27-12-11-24-9-7-8-10-26(24)19-27/h7-14,19-20,25,31-33H,6,15-18,21-22H2,1-5H3,(H,37,40)/t31-,32+,33-/m0/s1
PubChem CID44448479
ChEMBLCHEMBL403420
IUPHARN/A
BindingDB50373470
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
%max47.0 %PMID18479920ChEMBL
EC50120.5 nMPMID18479920ChEMBL
EC50121.0 nMPMID18479920BindingDB
IC5076.0 nMPMID18479920BindingDB
IC5076.2 nMPMID18479920ChEMBL

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