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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

NameCHEMBL179837
Molecular formulaC35H37ClN4O4S
IUPAC nameN-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carboxamide
Molecular weight645.215
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50162716
Naphthalene-2-carboxylic acid ((R)-1-(4-chloro-benzyl)-2-{4-[2-(cyclopropylmethyl-methanesulfonyl-amino)-phenyl]-piperazin-1-yl}-2-oxo-ethyl)-amide
Inchi KeyAMAVLJGPQBNVJH-WJOKGBTCSA-N
Inchi IDInChI=1S/C35H37ClN4O4S/c1-45(43,44)40(24-26-10-11-26)33-9-5-4-8-32(33)38-18-20-39(21-19-38)35(42)31(22-25-12-16-30(36)17-13-25)37-34(41)29-15-14-27-6-2-3-7-28(27)23-29/h2-9,12-17,23,26,31H,10-11,18-22,24H2,1H3,(H,37,41)/t31-/m1/s1
PubChem CID44390422
ChEMBLCHEMBL179837
IUPHARN/A
BindingDB50162716
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
EC5063.0 nMPMID15745810BindingDB,ChEMBL
IC50280.0 nMPMID15745810BindingDB,ChEMBL

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