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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

NameCHEMBL2028953
Molecular formulaC50H62N14O11
IUPAC name(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight1035.13
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-0.4
SynonymsN/A
Inchi KeyAOXKTUGUXAQYLD-SKGSPYGFSA-N
Inchi IDInChI=1S/C50H62N14O11/c1-28(65)59-38(21-30-13-15-33(66)16-14-30)47(73)61-37(17-18-43(68)69)46(72)64-41(23-32-25-54-27-58-32)49(75)62-39(20-29-8-3-2-4-9-29)48(74)60-36(12-7-19-55-50(52)53)45(71)63-40(44(70)57-26-42(51)67)22-31-24-56-35-11-6-5-10-34(31)35/h2-6,8-11,13-16,24-25,27,36-41,56,66H,7,12,17-23,26H2,1H3,(H2,51,67)(H,54,58)(H,57,70)(H,59,65)(H,60,74)(H,61,73)(H,62,75)(H,63,71)(H,64,72)(H,68,69)(H4,52,53,55)/t36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID70685710
ChEMBLCHEMBL2028953
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Potency0.0002 -PMID6982339ChEMBL

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