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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

NameCHEMBL269353
Molecular formulaC53H71N13O9
IUPAC name(2R,5S,8R,11S,14S,23R)-23-[[(2S)-2-acetamidohexanoyl]amino]-2,5-dibenzyl-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-yl)-3,6,9,12,20,24-hexaoxo-1,4,7,10,13,19-hexazacyclotetracosane-14-carboxamide
Molecular weight1034.23
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP1.9
SynonymsN/A
Inchi KeyCKQIBJSQVJIXNR-YHBZMUPYSA-N
Inchi IDInChI=1S/C53H71N13O9/c1-3-4-21-39(60-32(2)67)47(70)63-41-25-26-44(68)57-27-14-13-23-38(46(54)69)61-52(75)45(36-31-59-37-22-12-11-20-35(36)37)66-49(72)40(24-15-28-58-53(55)56)62-50(73)42(29-33-16-7-5-8-17-33)65-51(74)43(64-48(41)71)30-34-18-9-6-10-19-34/h5-12,16-20,22,31,38-43,45,59H,3-4,13-15,21,23-30H2,1-2H3,(H2,54,69)(H,57,68)(H,60,67)(H,61,75)(H,62,73)(H,63,70)(H,64,71)(H,65,74)(H,66,72)(H4,55,56,58)/t38-,39-,40+,41+,42-,43+,45-/m0/s1
PubChem CID44319453
ChEMBLCHEMBL269353
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
Relative potency0.5 -PMID2555512ChEMBL
Relative potency9.0 -PMID2555512ChEMBL

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