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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

NameCHEMBL414900
Molecular formulaC71H84N20O17
IUPAC name(3S)-3-[2-[(5R,8S,11R,14S,17R,20S,23R,26R)-11-(2-amino-2-oxoethyl)-5,14,17-tribenzyl-20-(3-carbamimidamidopropyl)-26-[2-[(3S)-7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl]hydrazinyl]-23-(1H-imidazol-5-ylmethyl)-8-methyl-4,7,10,13,16,19,22,25,28-nonaoxo-1,3,6,9,12,15,18,21,24-nonazacyclooctacosane-2-carbonyl]hydrazinyl]-4-(4-hydroxyphenyl)-2-oxobutanoic acid
Molecular weight1489.58
Hydrogen bond acceptor22
Hydrogen bond donor22
XlogP-2.9
SynonymsTyr-c[Asp-His-Arg-Phe-Phe-Asn-Ala-Phe-Dpr]-Tyr-NH2
BDBM50144875
Inchi KeyBXRPCYASTSTGKR-FHJBMNMKSA-N
Inchi IDInChI=1S/C71H84N20O17/c1-37-60(97)81-51(29-40-16-9-4-10-17-40)66(103)87-59(69(106)91-88-48(58(96)70(107)108)26-41-19-22-44(92)23-20-41)86-57(95)34-55(90-89-54-30-42-21-24-45(93)32-47(42)80-67(54)104)68(105)84-52(31-43-35-75-36-77-43)65(102)79-46(18-11-25-76-71(73)74)61(98)82-49(27-38-12-5-2-6-13-38)63(100)83-50(28-39-14-7-3-8-15-39)64(101)85-53(33-56(72)94)62(99)78-37/h2-10,12-17,19-24,32,35-37,46,48-55,59,88-90,92-93H,11,18,25-31,33-34H2,1H3,(H2,72,94)(H,75,77)(H,78,99)(H,79,102)(H,80,104)(H,81,97)(H,82,98)(H,83,100)(H,84,105)(H,85,101)(H,86,95)(H,87,103)(H,91,106)(H,107,108)(H4,73,74,76)/t37-,46-,48-,49+,50-,51+,52+,53+,54-,55+,59?/m0/s1
PubChem CID91932910
ChEMBLN/A
IUPHARN/A
BindingDB50144875
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
EC5013300.0 nMPMID15084118BindingDB

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