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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

NameCHEMBL438672
Molecular formulaC22H25N3O
IUPAC nameN-(3-aminopropyl)-2-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
Molecular weight347.462
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50217633
N-(3-aminopropyl)-N-cinnamyl-2-(1H-indol-3-yl)acetamide
Inchi KeyBULJTYRRPRXFMJ-UXBLZVDNSA-N
Inchi IDInChI=1S/C22H25N3O/c23-13-7-15-25(14-6-10-18-8-2-1-3-9-18)22(26)16-19-17-24-21-12-5-4-11-20(19)21/h1-6,8-12,17,24H,7,13-16,23H2/b10-6+
PubChem CID10291369
ChEMBLCHEMBL438672
IUPHARN/A
BindingDB50217633
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6400.0 nMPMID17618123BindingDB,ChEMBL

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