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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

NameCHEMBL381739
Molecular formulaC42H57N11O7
IUPAC name(3S,8S,11S,14S,17R,20R)-17-benzyl-3-butyl-14-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-2,5,10,13,16,19-hexaoxo-1,4,9,12,15,18-hexazabicyclo[18.3.0]tricosane-8-carboxamide
Molecular weight827.988
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP1.2
Synonymsc[Nle-Pro-D-Phe-Arg-Trp-Glu]-NH2
D0VD7R
BDBM50184357
Inchi KeyAKNCBPIMUGVGES-IPLXUGDNSA-N
Inchi IDInChI=1S/C42H57N11O7/c1-2-3-14-31-41(60)53-21-10-17-34(53)40(59)52-32(22-25-11-5-4-6-12-25)38(57)50-30(16-9-20-46-42(44)45)37(56)51-33(23-26-24-47-28-15-8-7-13-27(26)28)39(58)49-29(36(43)55)18-19-35(54)48-31/h4-8,11-13,15,24,29-34,47H,2-3,9-10,14,16-23H2,1H3,(H2,43,55)(H,48,54)(H,49,58)(H,50,57)(H,51,56)(H,52,59)(H4,44,45,46)/t29-,30-,31-,32+,33-,34+/m0/s1
PubChem CID44408408
ChEMBLCHEMBL381739
IUPHARN/A
BindingDB50184357
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
%max0.0 %PMID16539382ChEMBL
EC50<10000.0 nMPMID16539382BindingDB,ChEMBL
IC50<10000.0 nMPMID16539382BindingDB,ChEMBL

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