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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

NameCHEMBL240287
Molecular formulaC34H45N3O3
IUPAC name3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-1-[(4-phenylphenyl)methyl]urea
Molecular weight543.752
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50209690
1-(4-biphenylmethyl)-3-[1,1-di(hydroxymethyl)propyl]-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
Inchi KeyANKIQEZFSWFNLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H45N3O3/c1-3-34(25-38,26-39)35-33(40)37(24-30-13-15-32(16-14-30)31-7-5-4-6-8-31)22-19-28-17-20-36(21-18-28)23-29-11-9-27(2)10-12-29/h4-16,28,38-39H,3,17-26H2,1-2H3,(H,35,40)
PubChem CID44437622
ChEMBLCHEMBL240287
IUPHARN/A
BindingDB50209690
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
Imax93.5 %PMID17407817ChEMBL
Kb147.0 nMPMID17407817ChEMBL
Ki173.0 nMPMID20932767, PMID17407817BindingDB,ChEMBL
Ki173.78 nMPMID20932767, PMID17407817ChEMBL
pKb6.835 -PMID17407817ChEMBL

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