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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

NameCHEMBL445669
Molecular formulaC41H51N3O4
IUPAC namemethyl 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-[4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanoyl]amino]methyl]benzoate
Molecular weight649.876
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP7.7
SynonymsBDBM50217791
methyl 4-((4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamido)methyl)benzoate
Inchi KeyALEPAKIZRXGWQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H51N3O4/c1-48-41(47)32-17-9-31(10-18-32)27-44(34-21-13-29(14-22-34)25-28-11-19-33(42)20-12-28)40(46)8-4-6-37-36-5-2-3-7-38(36)43-39(37)26-30-15-23-35(45)24-16-30/h2-3,5,7,9-10,15-18,23-24,28-29,33-34,43,45H,4,6,8,11-14,19-22,25-27,42H2,1H3
PubChem CID44434698
ChEMBLCHEMBL445669
IUPHARN/A
BindingDB50217791
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
Ki2700.0 nMPMID17618123BindingDB,ChEMBL

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