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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

NameCHEMBL138771
Molecular formulaC37H45N9O5
IUPAC name(2S)-2-[[(2S)-2-[[2-[acetyl(benzyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight695.825
Hydrogen bond acceptor6
Hydrogen bond donor7
XlogP1.2
Synonyms(S)-2-{(S)-2-[2-(Acetyl-benzyl-amino)-acetylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
BDBM50136743
Inchi KeyCSOVRHGSAPSVOO-CPCREDONSA-N
Inchi IDInChI=1S/C37H45N9O5/c1-24(47)46(22-26-13-6-3-7-14-26)23-33(48)43-32(19-25-11-4-2-5-12-25)36(51)44-30(17-10-18-41-37(39)40)35(50)45-31(34(38)49)20-27-21-42-29-16-9-8-15-28(27)29/h2-9,11-16,21,30-32,42H,10,17-20,22-23H2,1H3,(H2,38,49)(H,43,48)(H,44,51)(H,45,50)(H4,39,40,41)/t30-,31-,32-/m0/s1
PubChem CID44359291
ChEMBLCHEMBL138771
IUPHARN/A
BindingDB50136743
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
EC50780.0 nMPMID14643357BindingDB,ChEMBL

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