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GPCR

NameMelanocyte-stimulating hormone receptor
SpeciesMus musculus (Mouse)
GeneMc1r
SynonymMC1 receptor
MC1-R
melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor)
Melanocortin receptor 1
MSH-R
DiseaseN/A for non-human GPCRs
Length315
Amino acid sequenceMSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
UniProtQ01727
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4077
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL431523
Molecular formulaC24H31N5O2
IUPAC name(2S)-N-(4-aminobutyl)-3-(1H-indol-3-yl)-2-(2-phenylethylcarbamoylamino)propanamide
Molecular weight421.545
Hydrogen bond acceptor3
Hydrogen bond donor5
XlogP1.7
SynonymsBDBM50129192
N-(4-Amino-butyl)-3-(1H-indol-3-yl)-2-(3-phenethyl-ureido)-propionamide
Inchi KeyALCIJSWNWVGYMD-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1
PubChem CID44305753
ChEMBLCHEMBL431523
IUPHARN/A
BindingDB50129192
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID12781199BindingDB,ChEMBL

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