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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

NameCHEMBL2035943
Molecular formulaC28H35ClN4O2
IUPAC name(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxamide
Molecular weight495.064
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50385163
Inchi KeyACNAIGITXKGCML-XBCLTQTASA-N
Inchi IDInChI=1S/C28H35ClN4O2/c29-23-8-4-7-22(13-23)14-30-27(34)25-18-33(16-21-9-10-21)19-26(25)28(35)31-24-11-12-32(17-24)15-20-5-2-1-3-6-20/h1-8,13,21,24-26H,9-12,14-19H2,(H,30,34)(H,31,35)/t24?,25-,26+/m0/s1
PubChem CID70688111
ChEMBLCHEMBL2035943
IUPHARN/A
BindingDB50385163
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki400.0 nMPMID22551631BindingDB,ChEMBL

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