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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

NameCHEMBL235358
Molecular formulaC33H43ClFN3O
IUPAC nameN-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
Molecular weight552.175
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP7.4
SynonymsBDBM50217708
N-(2-chloro-6-fluorophenethyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
Inchi KeyCUTNJBIQWQWFPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H43ClFN3O/c34-30-7-4-8-31(35)29(30)19-20-38(27-17-13-24(14-18-27)21-23-11-15-26(36)16-12-23)33(39)10-3-5-25-22-37-32-9-2-1-6-28(25)32/h1-2,4,6-9,22-24,26-27,37H,3,5,10-21,36H2
PubChem CID44434764
ChEMBLCHEMBL235358
IUPHARN/A
BindingDB50217708
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
Ki2100.0 nMPMID17618123BindingDB,ChEMBL

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