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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

NameCHEMBL2369974
Molecular formulaC77H89N19O16
IUPAC name(2S,5S,8S,11S,14S,17S,20R,23S,26S)-1-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-11-(2-amino-2-oxoethyl)-5-benzyl-17-[3-(diaminomethylideneamino)propyl]-23-(1H-imidazol-4-ylmethyl)-14-(1H-indol-3-ylmethyl)-2,8-dimethyl-20-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25,28-nonaoxo-1,3,6,9,12,15,18,21,24-nonazacyclooctacosane-2-carboxylic acid
Molecular weight1536.68
Hydrogen bond acceptor19
Hydrogen bond donor19
XlogP-1.5
SynonymsN/A
Inchi KeyFMLOYHHQNWSDOJ-HUIDGCBDSA-N
Inchi IDInChI=1S/C77H89N19O16/c1-41-66(102)89-57(31-42-11-4-3-5-12-42)74(110)95-77(2,75(111)112)96(62(65(80)101)33-44-21-26-51(98)27-22-44)64(100)37-61(90-67(103)53(78)30-43-19-24-50(97)25-20-43)73(109)93-59(35-49-39-83-40-86-49)72(108)91-56(32-45-18-23-46-13-6-7-14-47(46)29-45)70(106)88-55(17-10-28-84-76(81)82)68(104)92-58(34-48-38-85-54-16-9-8-15-52(48)54)71(107)94-60(36-63(79)99)69(105)87-41/h3-9,11-16,18-27,29,38-41,53,55-62,85,97-98H,10,17,28,30-37,78H2,1-2H3,(H2,79,99)(H2,80,101)(H,83,86)(H,87,105)(H,88,106)(H,89,102)(H,90,103)(H,91,108)(H,92,104)(H,93,109)(H,94,107)(H,95,110)(H,111,112)(H4,81,82,84)/t41-,53-,55-,56+,57-,58-,59-,60-,61-,62-,77-/m0/s1
PubChem CID73352993
ChEMBLCHEMBL2369974
IUPHARN/A
BindingDBN/A
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
EC505.56 nMPMID15828845ChEMBL

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