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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

NameCHEMBL212976
Molecular formulaC37H43N5O3
IUPAC nameN-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
Molecular weight605.783
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50191558
N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-yl-methoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
Inchi KeyAEBQLEXRXNCRKU-LBFZIJHGSA-N
Inchi IDInChI=1S/C37H43N5O3/c38-37(39)40-21-9-16-32-24-33(45-26-29-17-19-30-14-7-8-15-31(30)22-29)25-42(32)36(44)34(23-28-12-5-2-6-13-28)41-35(43)20-18-27-10-3-1-4-11-27/h1-8,10-15,17,19,22,32-34H,9,16,18,20-21,23-26H2,(H,41,43)(H4,38,39,40)/t32-,33+,34+/m0/s1
PubChem CID11845276
ChEMBLCHEMBL212976
IUPHARN/A
BindingDB50191558
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50585.0 nMPMID16854081BindingDB,ChEMBL
Emax103.0 %PMID16854081ChEMBL
Ki611.0 nMPMID16854081BindingDB,ChEMBL

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