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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

NameCHEMBL394647
Molecular formulaC21H28N2OS
IUPAC nameN-(3-aminopropyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]-4-thiophen-2-ylbutanamide
Molecular weight356.528
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50217694
(E)-N-(3-aminopropyl)-N-(2-methyl-3-phenylallyl)-4-(thiophen-2-yl)butanamide
Inchi KeyDCWQOJZKBZYRFV-FBMGVBCBSA-N
Inchi IDInChI=1S/C21H28N2OS/c1-18(16-19-8-3-2-4-9-19)17-23(14-7-13-22)21(24)12-5-10-20-11-6-15-25-20/h2-4,6,8-9,11,15-16H,5,7,10,12-14,17,22H2,1H3/b18-16+
PubChem CID44434605
ChEMBLCHEMBL394647
IUPHARN/A
BindingDB50217694
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6800.0 nMPMID17618123BindingDB,ChEMBL

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