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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

NameCHEMBL264190
Molecular formulaC34H43N11O5
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight685.79
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP-0.3
Synonyms(S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Ac-His-D-Phe-Arg-Trp-NH2
L-Tryptophanamide, N-acetyl-L-histidyl-D-phenylalanyl-L-arginyl-
1N-[1-carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]-5-amino(imino)methylamino-2-[1-[2-(1H-5-imidazolyl)-1-methylcarboxamido-(1S)-ethylcarboxamido]-2-phenyl-(1R)-ethylcarboxamido]-(2S)-pentanamide
BDBM50034922
[ Show all ]
Inchi KeyDFCJPPDAOZROBS-FKWFRFQNSA-N
Inchi IDInChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
PubChem CID11093672
ChEMBLCHEMBL264190
IUPHARN/A
BindingDB50034922
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.

Experimental Data

ParameterValueReferenceDatabase source
EC5014.0 nMPMID26959173BindingDB
EC5014.1 nMPMID26959173ChEMBL
EC5018.0 nMPMID26005535BindingDB,ChEMBL
EC5020.0 nMPMID14643357BindingDB,ChEMBL
EC5020.1 nMPMID12086493, PMID12061882BindingDB,ChEMBL
EC5025.6 nMPMID11405661BindingDB,ChEMBL
EC5052.0 nMPMID15857138BindingDB,ChEMBL
EC5071.0 nMPMID25699138BindingDB,ChEMBL
EC50112.0 nMPMID18800761BindingDB,ChEMBL
EC50140.0 nMPMID12477357ChEMBL
FC1.0 -PMID18800761ChEMBL
IC50388.0 nMPMID26959173BindingDB,ChEMBL
Ratio EC501.0 -PMID26959173ChEMBL
Ratio IC501.0 -PMID26959173ChEMBL

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