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GPCR

NameMelanocyte-stimulating hormone receptor
SpeciesHomo sapiens (Human)
GeneMC1R
SynonymMSH-R
Melanocortin receptor 1
melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor)
MC1-R
MC1 receptor
DiseaseAtopic dermatitis
Length317
Amino acid sequenceMAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
UniProtQ01726
Protein Data BankN/A
GPCR-HGmod modelQ01726
3D structure modelThis predicted structure model is from GPCR-EXP Q01726.
BioLiPN/A
Therapeutic Target DatabaseT35842
ChEMBLCHEMBL3795
IUPHAR282
DrugBankBE0002447

Ligand

NameCHEMBL2372830
Molecular formulaC49H69N15O10
IUPAC name(3S)-3-[[(2S)-2-acetamidohexanoyl]amino]-4-[[(2S)-1-[[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1028.19
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-3.1
SynonymsN/A
Inchi KeyBQFNKFMCJZESJG-ZLCORKTQSA-N
Inchi IDInChI=1S/C49H69N15O10/c1-3-4-15-35(58-28(2)65)43(69)64-40(24-41(66)67)48(74)63-39(23-31-26-54-27-57-31)47(73)61-37(21-29-12-6-5-7-13-29)45(71)60-36(18-11-20-55-49(52)53)44(70)62-38(46(72)59-34(42(51)68)17-10-19-50)22-30-25-56-33-16-9-8-14-32(30)33/h5-9,12-14,16,25-27,34-40,56H,3-4,10-11,15,17-24,50H2,1-2H3,(H2,51,68)(H,54,57)(H,58,65)(H,59,72)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,66,67)(H4,52,53,55)/t34-,35-,36-,37+,38-,39-,40-/m0/s1
PubChem CID11194004
ChEMBLCHEMBL2372830
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
Activity0.9 -PMID2535874ChEMBL

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