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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

NameCHEMBL385959
Molecular formulaC32H41F3N4O2
IUPAC nameN-methyl-N-[(3S)-1-[(3R)-3-[methyl-(4-methylcyclohexyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight570.701
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM50190270
4''-trifluoromethyl-biphenyl-4-carboxylic acid methyl-((S)-1-{(R)-3-[methyl-(4-methyl-cyclohexyl)-amino]-pyrrolidine-1-carbonyl}-pyrrolidin-3-yl)-amide
Inchi KeyALGLCHGXJVZFRW-BYOMPTMESA-N
Inchi IDInChI=1S/C32H41F3N4O2/c1-22-4-14-27(15-5-22)36(2)28-16-18-38(20-28)31(41)39-19-17-29(21-39)37(3)30(40)25-8-6-23(7-9-25)24-10-12-26(13-11-24)32(33,34)35/h6-13,22,27-29H,4-5,14-21H2,1-3H3/t22?,27?,28-,29+/m1/s1
PubChem CID44415440
ChEMBLCHEMBL385959
IUPHARN/A
BindingDB50190270
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
Ki28.84 nMPMID16814542ChEMBL
Ki29.0 nMPMID16814542BindingDB,ChEMBL

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