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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

NameCHEMBL602654
Molecular formulaC44H55N11O7
IUPAC name2-[(6S,9S,15S)-13,15-dibenzyl-9-[3-(diaminomethylideneamino)propyl]-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexazacyclohenicos-4-yl]acetamide
Molecular weight849.994
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP0.4
SynonymsBDBM50310317
2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexaazacyclohenicosan-4-yl)acetamide
Inchi KeyBRQLNASGHKQEIB-KVBYWJEESA-N
Inchi IDInChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-39(58)52-35(23-29-11-3-1-4-12-29)43(62)55(26-30-13-5-2-6-14-30)28-40(59)51-34(17-10-20-49-44(46)47)41(60)53-36(42(54)61)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,59)(H,52,58)(H,53,60)(H4,46,47,49)/t34-,35-,36-/m0/s1
PubChem CID46232224
ChEMBLCHEMBL602654
IUPHARN/A
BindingDB50310317
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
EC501000.0 nMPMID20056544BindingDB,ChEMBL

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