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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

NameCHEMBL236630
Molecular formulaC25H30ClN3O
IUPAC nameN-(4-aminobutyl)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(1H-indol-3-yl)butanamide
Molecular weight423.985
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50217632
(Z)-N-(4-aminobutyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
Inchi KeyDFLHMQJGWDDBDL-XLNRJJMWSA-N
Inchi IDInChI=1S/C25H30ClN3O/c26-22(17-20-9-2-1-3-10-20)19-29(16-7-6-15-27)25(30)14-8-11-21-18-28-24-13-5-4-12-23(21)24/h1-5,9-10,12-13,17-18,28H,6-8,11,14-16,19,27H2/b22-17-
PubChem CID44434633
ChEMBLCHEMBL236630
IUPHARN/A
BindingDB50217632
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2400.0 nMPMID17618123BindingDB,ChEMBL

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