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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

NameCHEMBL235798
Molecular formulaC26H29N5O
IUPAC nameN-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)propanamide
Molecular weight427.552
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP3.3
SynonymsSCHEMBL7866512
BDBM50217737
N-(3-Guanidino-propyl)-3-(1H-indol-3-yl)-N-naphthalen-2-ylmethyl-propionamide
Inchi KeyAESDVUXZXPNTFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N5O/c27-26(28)29-14-5-15-31(18-19-10-11-20-6-1-2-7-21(20)16-19)25(32)13-12-22-17-30-24-9-4-3-8-23(22)24/h1-4,6-11,16-17,30H,5,12-15,18H2,(H4,27,28,29)
PubChem CID23653113
ChEMBLCHEMBL235798
IUPHARN/A
BindingDB50217737
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12000.0 nMPMID17618123BindingDB,ChEMBL

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