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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

NameCHEMBL392094
Molecular formulaC33H40ClN3O3
IUPAC nameN-(1-adamantyl)-N-(4-aminobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
Molecular weight562.151
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.7
SynonymsN-adamantan-2-yl-N-(4-amino-butyl)-2-[1-(4-chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetamide
BDBM50217781
Inchi KeyARYXHCOOGIRDOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H40ClN3O3/c1-21-28(29-16-27(40-2)9-10-30(29)37(21)32(39)25-5-7-26(34)8-6-25)17-31(38)36(12-4-3-11-35)33-18-22-13-23(19-33)15-24(14-22)20-33/h5-10,16,22-24H,3-4,11-15,17-20,35H2,1-2H3
PubChem CID44434621
ChEMBLCHEMBL392094
IUPHARN/A
BindingDB50217781
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki3100.0 nMPMID17618123BindingDB,ChEMBL

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