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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

NameCHEMBL391915
Molecular formulaC30H39Cl2FN4O2
IUPAC name1-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-[(1S)-1-(ethylamino)-3-methylbutyl]-6-fluorophenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
Molecular weight577.566
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50221142
1-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)-1-(ethylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-1-oxopropan-2-yl)pyrrolidin-2-one
Inchi KeyAGENZPFZMBQUPS-RRPNLBNLSA-N
Inchi IDInChI=1S/C30H39Cl2FN4O2/c1-4-34-26(17-20(2)3)23-7-5-8-25(33)29(23)35-13-15-36(16-14-35)30(39)27(37-12-6-9-28(37)38)18-21-10-11-22(31)19-24(21)32/h5,7-8,10-11,19-20,26-27,34H,4,6,9,12-18H2,1-3H3/t26-,27+/m0/s1
PubChem CID44433265
ChEMBLCHEMBL391915
IUPHARN/A
BindingDB50221142
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
Ki6.2 nMPMID17822895BindingDB,ChEMBL

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