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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

NameCHEMBL235798
Molecular formulaC26H29N5O
IUPAC nameN-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)propanamide
Molecular weight427.552
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM50217737
N-(3-Guanidino-propyl)-3-(1H-indol-3-yl)-N-naphthalen-2-ylmethyl-propionamide
SCHEMBL7866512
Inchi KeyAESDVUXZXPNTFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N5O/c27-26(28)29-14-5-15-31(18-19-10-11-20-6-1-2-7-21(20)16-19)25(32)13-12-22-17-30-24-9-4-3-8-23(22)24/h1-4,6-11,16-17,30H,5,12-15,18H2,(H4,27,28,29)
PubChem CID23653113
ChEMBLCHEMBL235798
IUPHARN/A
BindingDB50217737
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki16000.0 nMPMID17618123BindingDB,ChEMBL

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