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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

NameCHEMBL191304
Molecular formulaC49H73N11O5
IUPAC nameN-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]heptadecanamide
Molecular weight896.195
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP7.9
SynonymsBDBM50166131
Heptadecanoic acid [(S)-1-((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-amide
Inchi KeyCYIRWWLUWGUZJP-HPYHLGIWSA-N
Inchi IDInChI=1S/C49H73N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-44(61)57-43(31-37-33-53-34-56-37)48(65)60-42(29-35-22-16-15-17-23-35)47(64)58-40(26-21-28-54-49(51)52)46(63)59-41(45(50)62)30-36-32-55-39-25-20-19-24-38(36)39/h15-17,19-20,22-25,32-34,40-43,55H,2-14,18,21,26-31H2,1H3,(H2,50,62)(H,53,56)(H,57,61)(H,58,64)(H,59,63)(H,60,65)(H4,51,52,54)/t40-,41-,42+,43-/m0/s1
PubChem CID11263053
ChEMBLCHEMBL191304
IUPHARN/A
BindingDB50166131
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.72 nMPMID15857138BindingDB,ChEMBL

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