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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

NameCHEMBL598616
Molecular formulaC30H28FN5O3
IUPAC nameN-(4-fluorophenyl)-2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-propan-2-ylacetamide
Molecular weight525.584
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL14024165
Inchi KeyCECATNFQVRKHNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H28FN5O3/c1-20(2)36(23-14-12-21(31)13-15-23)28(37)19-34-16-17-35(22-8-4-3-5-9-22)30(39)25(29(34)38)18-27-24-10-6-7-11-26(24)32-33-27/h3-17,20,25H,18-19H2,1-2H3,(H,32,33)
PubChem CID11512024
ChEMBLCHEMBL598616
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity54.0 %PMID20172734ChEMBL
EC5050.12 nMPMID20172734ChEMBL

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