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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

NameCHEMBL266840
Molecular formulaC33H33ClFN5
IUPAC name3-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methyl]-1-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]benzonitrile
Molecular weight554.11
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50190873
3-(2-((6-chloro-5-fluoro-1H-benzo[d]imidazol-2-yl)methyl)-1-(1-(cyclopropylmethyl)piperidin-4-yl)-1,2,3,4-tetrahydroisoquinolin-6-yl)benzonitrile
Inchi KeyAKISUPSPJIOWRG-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33ClFN5/c34-28-16-30-31(17-29(28)35)38-32(37-30)20-40-13-10-26-15-25(24-3-1-2-22(14-24)18-36)6-7-27(26)33(40)23-8-11-39(12-9-23)19-21-4-5-21/h1-3,6-7,14-17,21,23,33H,4-5,8-13,19-20H2,(H,37,38)
PubChem CID44417061
ChEMBLCHEMBL266840
IUPHARN/A
BindingDB50190873
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
Ki84.0 nMPMID16824753BindingDB,ChEMBL

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