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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

NameCHEMBL366708
Molecular formulaC37H48ClN5O3
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[[3-(2-methylpropoxy)propylamino]methyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight646.273
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.4
SynonymsBDBM50160552
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-{2-[(3-isobutoxy-propylamino)-methyl]-phenyl}-piperazin-1-yl)-2-oxo-ethyl]-amide
Inchi KeyADQZMJSQUNIDBR-KKLWWLSJSA-N
Inchi IDInChI=1S/C37H48ClN5O3/c1-27(2)26-46-21-7-16-39-24-31-10-5-6-11-35(31)42-17-19-43(20-18-42)37(45)34(22-28-12-14-32(38)15-13-28)41-36(44)33-23-29-8-3-4-9-30(29)25-40-33/h3-6,8-15,27,33-34,39-40H,7,16-26H2,1-2H3,(H,41,44)/t33-,34-/m1/s1
PubChem CID44391262
ChEMBLCHEMBL366708
IUPHARN/A
BindingDB50160552
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
IA<80.0 %PMID15664867ChEMBL
Ki110.0 nMPMID15664867BindingDB,ChEMBL

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