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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

NameCHEMBL250778
Molecular formulaC26H35ClN4O3S
IUPAC nameN-[[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]methyl]methanesulfonamide
Molecular weight519.101
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50218107
N-((14S,15R)-2-(4-((3R,4S)-3-(4-chlorophenyl)-1-isopropylpyrrolidine-4-carbonyl)piperazin-1-yl)benzyl)methanesulfonamide
Inchi KeyALBKLLMXNTWAOQ-BJKOFHAPSA-N
Inchi IDInChI=1S/C26H35ClN4O3S/c1-19(2)31-17-23(20-8-10-22(27)11-9-20)24(18-31)26(32)30-14-12-29(13-15-30)25-7-5-4-6-21(25)16-28-35(3,33)34/h4-11,19,23-24,28H,12-18H2,1-3H3/t23-,24+/m0/s1
PubChem CID44444431
ChEMBLCHEMBL250778
IUPHARN/A
BindingDB50218107
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1700.0 nMPMID17629702BindingDB,ChEMBL

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