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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

NameCHEMBL441675
Molecular formulaC30H36ClN5O2S
IUPAC nameN-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]azetidine-2-carboxamide
Molecular weight566.161
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50155387
Azetidine-2-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-amide
Inchi KeyADKXRZJLKVSHGB-SSYAZFEXSA-N
Inchi IDInChI=1S/C30H36ClN5O2S/c31-24-9-7-22(8-10-24)20-27(34-29(37)26-12-14-33-26)30(38)36-17-15-35(16-18-36)28-6-2-1-4-23(28)21-32-13-11-25-5-3-19-39-25/h1-10,19,26-27,32-33H,11-18,20-21H2,(H,34,37)/t26?,27-/m1/s1
PubChem CID44395899
ChEMBLCHEMBL441675
IUPHARN/A
BindingDB50155387
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki48.0 nMPMID15482933BindingDB,ChEMBL

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