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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

NameSCHEMBL8368801
Molecular formulaC50H69N17O9
IUPAC name(3S,11S,14S,17S,20R,23S)-3-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-20-[(4-cyanophenyl)methyl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,6,13,16,19,22-hexaoxo-1,7,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
Molecular weight1052.21
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-2.3
SynonymsBDBM160193
US9040663, 39
CHEMBL3663355
Inchi KeyBNFUXYDGIWJQJN-IJRTVYNZSA-N
Inchi IDInChI=1S/C50H69N17O9/c1-28(68)61-35(11-5-21-58-49(53)54)43(71)64-37-18-19-41(69)57-20-4-10-34(42(52)70)62-46(74)39(25-31-27-60-33-9-3-2-8-32(31)33)65-44(72)36(12-6-22-59-50(55)56)63-45(73)38(24-29-14-16-30(26-51)17-15-29)66-47(75)40-13-7-23-67(40)48(37)76/h2-3,8-9,14-17,27,34-40,60H,4-7,10-13,18-25H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,74)(H,63,73)(H,64,71)(H,65,72)(H,66,75)(H4,53,54,58)(H4,55,56,59)/t34-,35-,36-,37-,38+,39-,40-/m0/s1
PubChem CID49847198
ChEMBLCHEMBL3663355
IUPHARN/A
BindingDB160193
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
Ki1550.0 nM, NoneBindingDB,ChEMBL

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