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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

NameCHEMBL237930
Molecular formulaC29H31N3O
IUPAC nameN-[[4-(aminomethyl)phenyl]methyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
Molecular weight437.587
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50217704
N-(4-(aminomethyl)benzyl)-N-cinnamyl-4-(1H-indol-3-yl)butanamide
Inchi KeyANPURGCLFHDOSR-JXMROGBWSA-N
Inchi IDInChI=1S/C29H31N3O/c30-20-24-15-17-25(18-16-24)22-32(19-7-10-23-8-2-1-3-9-23)29(33)14-6-11-26-21-31-28-13-5-4-12-27(26)28/h1-5,7-10,12-13,15-18,21,31H,6,11,14,19-20,22,30H2/b10-7+
PubChem CID44434851
ChEMBLCHEMBL237930
IUPHARN/A
BindingDB50217704
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2600.0 nMPMID17618123BindingDB,ChEMBL

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