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GPCR

NameMelanin-concentrating hormone receptor 1
SpeciesHomo sapiens (Human)
GeneMCHR1
SynonymSLC-1
Somatostatin receptor-like protein
MCHR-1
MCHR
MCH1R
[ Show all ]
DiseaseObesity
Obesity; Anxiety; Depression
Length422
Amino acid sequenceMSVGAMKKGVGRAVGLGGGSGCQATEEDPLPNCGACAPGQGGRRWRLPQPAWVEGSSARLWEQATGTGWMDLEASLLPTGPNASNTSDGPDNLTSAGSPPRTGSISYINIIMPSVFGTICLLGIIGNSTVIFAVVKKSKLHWCNNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMAIDRYLATVHPISSTKFRKPSVATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVRILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRAVSNAQTADEERTESKGT
UniProtQ99705
Protein Data BankN/A
GPCR-HGmod modelQ99705
3D structure modelThis predicted structure model is from GPCR-EXP Q99705.
BioLiPN/A
Therapeutic Target DatabaseT09572
ChEMBLCHEMBL344
IUPHAR280
DrugBankBE0003478

Ligand

NameCHEMBL392013
Molecular formulaC36H47N3O4
IUPAC name[2-[[[4-(2-methoxyphenyl)phenyl]methyl-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]carbamoyl]amino]-2-methylpropyl] acetate
Molecular weight585.789
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50209689
3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2''-methoxy-4-biphenylmethyl)-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
Inchi KeyAMKLSCYIZASEGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H47N3O4/c1-27-10-12-30(13-11-27)24-38-21-18-29(19-22-38)20-23-39(35(41)37-36(3,4)26-43-28(2)40)25-31-14-16-32(17-15-31)33-8-6-7-9-34(33)42-5/h6-17,29H,18-26H2,1-5H3,(H,37,41)
PubChem CID44437524
ChEMBLCHEMBL392013
IUPHARN/A
BindingDB50209689
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Imax97.5 %PMID17407817ChEMBL
Kb721.0 nMPMID17407817ChEMBL
Ki214.78 nMPMID20932767, PMID17407817ChEMBL
Ki215.0 nMPMID20932767, PMID17407817BindingDB,ChEMBL
pKb6.145 -PMID17407817ChEMBL

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