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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

NameCHEMBL3577980
Molecular formulaC76H96N16O17
IUPAC name2-[(3R,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S)-15,24,27-tribenzyl-30-(3-carbamimidamidopropyl)-12,33-bis[(1R)-1-hydroxyethyl]-9,36-bis[(4-hydroxyphenyl)methyl]-18-methyl-2,8,11,14,17,20,23,26,29,32,35,38-dodecaoxo-1,7,10,13,16,19,22,25,28,31,34,37-dodecazatricyclo[37.3.0.03,7]dotetracontan-21-yl]acetamide
Molecular weight1505.7
Hydrogen bond acceptor18
Hydrogen bond donor18
XlogP2.3
SynonymsBDBM50089397
Inchi KeyCMUIIIJAMAXXJO-IMSVJTHKSA-N
Inchi IDInChI=1S/C76H96N16O17/c1-42-64(98)83-55(38-47-20-11-6-12-21-47)69(103)90-63(44(3)94)73(107)88-58(40-49-27-31-51(96)32-28-49)74(108)92-35-15-24-60(92)75(109)91-34-14-23-59(91)71(105)87-56(39-48-25-29-50(95)30-26-48)70(104)89-62(43(2)93)72(106)82-52(22-13-33-80-76(78)79)65(99)84-53(36-45-16-7-4-8-17-45)67(101)85-54(37-46-18-9-5-10-19-46)68(102)86-57(41-61(77)97)66(100)81-42/h4-12,16-21,25-32,42-44,52-60,62-63,93-96H,13-15,22-24,33-41H2,1-3H3,(H2,77,97)(H,81,100)(H,82,106)(H,83,98)(H,84,99)(H,85,101)(H,86,102)(H,87,105)(H,88,107)(H,89,104)(H,90,103)(H4,78,79,80)/t42-,43+,44+,52-,53-,54-,55-,56-,57-,58-,59-,60+,62-,63-/m0/s1
PubChem CID122178150
ChEMBLCHEMBL3577980
IUPHARN/A
BindingDB50089397
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5011600.0 nMPMID25898270BindingDB,ChEMBL

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