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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

NameCHEMBL240116
Molecular formulaC33H40N4O
IUPAC name1-[[4-(3-cyanophenyl)phenyl]methyl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-3-propan-2-ylurea
Molecular weight508.71
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.2
Synonyms1-(3''-cyano-4-biphenylmethyl)-3-isopropyl-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
BDBM50209702
Inchi KeyAKAAKXSPGNFTCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H40N4O/c1-25(2)35-33(38)37(24-29-11-13-31(14-12-29)32-6-4-5-30(21-32)22-34)20-17-27-15-18-36(19-16-27)23-28-9-7-26(3)8-10-28/h4-14,21,25,27H,15-20,23-24H2,1-3H3,(H,35,38)
PubChem CID44437519
ChEMBLCHEMBL240116
IUPHARN/A
BindingDB50209702
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
Imax97.0 %PMID17407817ChEMBL
Kb1010.0 nMPMID17407817ChEMBL
Ki509.0 nMPMID20932767, PMID17407817BindingDB,ChEMBL
Ki512.86 nMPMID20932767, PMID17407817ChEMBL
pKb5.995 -PMID17407817ChEMBL

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