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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

NameCHEMBL268395
Molecular formulaC27H33N3O
IUPAC nameN-[(1R,2R)-2-aminocyclohexyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
Molecular weight415.581
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.6
SynonymsN-((1R,2R)-2-aminocyclohexyl)-N-cinnamyl-4-(1H-indol-3-yl)butanamide
BDBM50217701
Inchi KeyCTWATJKCCUTZQI-OAOUBSARSA-N
Inchi IDInChI=1S/C27H33N3O/c28-24-15-5-7-17-26(24)30(19-9-12-21-10-2-1-3-11-21)27(31)18-8-13-22-20-29-25-16-6-4-14-23(22)25/h1-4,6,9-12,14,16,20,24,26,29H,5,7-8,13,15,17-19,28H2/b12-9+/t24-,26-/m1/s1
PubChem CID44434853
ChEMBLCHEMBL268395
IUPHARN/A
BindingDB50217701
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12000.0 nMPMID17618123BindingDB,ChEMBL

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