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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

NameBDBM82410
Molecular formulaC34H51N9O11S
IUPAC name(4S)-4-amino-5-[[(2S)-1-[[(2R)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]-[(2S)-1-(2-aminobutanoyloxy)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-methylsulfonyl-5-oxopentanoic acid
Molecular weight793.894
Hydrogen bond acceptor16
Hydrogen bond donor8
XlogP-4.1
SynonymsCAS_50913-82-1
Inchi KeyAKIIEVUJEXRNKN-SEFDSSNDSA-N
Inchi IDInChI=1S/C34H51N9O11S/c1-4-22(36)34(51)54-33(50)19(2)43(30(46)25(12-8-9-13-35)41-28(44)23(37)14-20-10-6-5-7-11-20)31(47)26(15-21-17-39-18-40-21)42-29(45)24(38)16-27(32(48)49)55(3,52)53/h5-7,10-11,17-19,22-27H,4,8-9,12-16,35-38H2,1-3H3,(H,39,40)(H,41,44)(H,42,45)(H,48,49)/t19-,22?,23-,24-,25+,26-,27?/m0/s1
PubChem CID91898440
ChEMBLN/A
IUPHARN/A
BindingDB82410
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID8884876BindingDB

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