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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

NameMLS002166510
Molecular formulaC24H26O7
IUPAC name(2-oxooxolan-3-yl) 2-(3,4-dipropoxybenzoyl)benzoate
Molecular weight426.465
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.9
Synonyms(2-oxidanylideneoxolan-3-yl) 2-(3,4-dipropoxyphenyl)carbonylbenzoate
(2-oxooxolan-3-yl) 2-(3,4-dipropoxybenzoyl)benzoate
2-(3,4-dipropoxybenzoyl)benzoic acid (2-ketotetrahydrofuran-3-yl) ester
2-[(3,4-dipropoxyphenyl)-oxomethyl]benzoic acid (2-oxo-3-oxolanyl) ester
AC1NNCSR
[ Show all ]
Inchi KeyAPUOHHVGNOQUIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26O7/c1-3-12-28-19-10-9-16(15-21(19)29-13-4-2)22(25)17-7-5-6-8-18(17)23(26)31-20-11-14-30-24(20)27/h5-10,15,20H,3-4,11-14H2,1-2H3
PubChem CID5024835
ChEMBLCHEMBL1483683
IUPHARN/A
BindingDB79595
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<64576.0 nMPubChem BioAssay data setChEMBL

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