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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

NameCHEMBL64954
Molecular formulaC23H29N5O2
IUPAC name(2R)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
Molecular weight407.518
Hydrogen bond acceptor3
Hydrogen bond donor5
XlogP1.9
SynonymsBDBM50129189
N-(4-Amino-butyl)-2-(3-benzyl-ureido)-3-(1H-indol-3-yl)-propionamide
Inchi KeyCKUHVWJCONRCIC-OAQYLSRUSA-N
Inchi IDInChI=1S/C23H29N5O2/c24-12-6-7-13-25-22(29)21(14-18-16-26-20-11-5-4-10-19(18)20)28-23(30)27-15-17-8-2-1-3-9-17/h1-5,8-11,16,21,26H,6-7,12-15,24H2,(H,25,29)(H2,27,28,30)/t21-/m1/s1
PubChem CID44305704
ChEMBLCHEMBL64954
IUPHARN/A
BindingDB50129189
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5042400.0 nMPMID12781199BindingDB,ChEMBL

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