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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

NameCHEMBL237070
Molecular formulaC32H42FN3O
IUPAC nameN-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-fluorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
Molecular weight503.706
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50217786
N-(2-fluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
Inchi KeyAMKOEUKZHYTCTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2
PubChem CID44434695
ChEMBLCHEMBL237070
IUPHARN/A
BindingDB50217786
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
Ki2400.0 nMPMID17618123BindingDB,ChEMBL

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