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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

NameCHEMBL151906
Molecular formulaC34H42N10O5S
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight702.835
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP0.9
SynonymsBDBM50122074
Ac-His-D-Phe-Arg-3Bal-NH2
Inchi KeyGDPLVOFFSHSVQV-PUHABZHSSA-N
Inchi IDInChI=1S/C34H42N10O5S/c1-20(45)41-28(16-23-17-38-19-40-23)33(49)44-27(14-21-8-3-2-4-9-21)32(48)42-25(11-7-13-39-34(36)37)31(47)43-26(30(35)46)15-22-18-50-29-12-6-5-10-24(22)29/h2-6,8-10,12,17-19,25-28H,7,11,13-16H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t25-,26+,27-,28-/m0/s1
PubChem CID44369165
ChEMBLCHEMBL151906
IUPHARN/A
BindingDB50122074
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
EC5079.9 nMPMID12477357BindingDB,ChEMBL

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