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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

NameCHEMBL3965807
Molecular formulaC35H50N10O8
IUPAC name(2S,5R,8S,11S,18S)-18-[[(2S)-2-acetamidohexanoyl]amino]-5-benzyl-2-(1H-imidazol-5-ylmethyl)-8-methyl-3,6,9,15,19-pentaoxo-1,4,7,10,14-pentazacyclononadecane-11-carboxamide
Molecular weight738.847
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-0.6
SynonymsBDBM250664
SCHEMBL12092513
US9447148, 9.33
US9447148, 9.45
Inchi KeyAXUMKJXCWLWCCP-OWBGXZFCSA-N
Inchi IDInChI=1S/C35H50N10O8/c1-4-5-11-25(41-21(3)46)32(50)43-26-12-13-29(47)38-15-14-24(30(36)48)42-31(49)20(2)40-34(52)27(16-22-9-7-6-8-10-22)44-35(53)28(45-33(26)51)17-23-18-37-19-39-23/h6-10,18-20,24-28H,4-5,11-17H2,1-3H3,(H2,36,48)(H,37,39)(H,38,47)(H,40,52)(H,41,46)(H,42,49)(H,43,50)(H,44,53)(H,45,51)/t20-,24-,25-,26-,27+,28-/m0/s1
PubChem CID70660651
ChEMBLCHEMBL3965807
IUPHARN/A
BindingDB250664
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki10000.0 nM, NoneBindingDB,ChEMBL

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