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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

NameCHEMBL1775064
Molecular formulaC47H59N13O9
IUPAC name(2S,5S,8R,11S,14S,17S,20S)-11-(2-amino-2-oxoethyl)-8,17-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-5-(1H-indol-3-ylmethyl)-14-methyl-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricosane-20-carboxamide
Molecular weight950.071
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP-0.8
SynonymsN/A
Inchi KeyAFDXFHGCOAOFDA-RLBQVKLDSA-N
Inchi IDInChI=1S/C47H59N13O9/c1-26-41(64)57-34(21-27-11-4-2-5-12-27)44(67)56-32(40(49)63)18-19-39(62)55-33(17-10-20-52-47(50)51)42(65)59-36(23-29-25-53-31-16-9-8-15-30(29)31)46(69)58-35(22-28-13-6-3-7-14-28)45(68)60-37(24-38(48)61)43(66)54-26/h2-9,11-16,25-26,32-37,53H,10,17-24H2,1H3,(H2,48,61)(H2,49,63)(H,54,66)(H,55,62)(H,56,67)(H,57,64)(H,58,69)(H,59,65)(H,60,68)(H4,50,51,52)/t26-,32-,33-,34-,35+,36-,37-/m0/s1
PubChem CID54582030
ChEMBLCHEMBL1775064
IUPHARN/A
BindingDBN/A
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
Activity0.0 %PMID21486697ChEMBL

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