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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

NameAva9,10,Ava14,15
Molecular formulaC49H82N16O11S3
IUPAC name31-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-19-[3-(diaminomethylideneamino)propyl]-13-[(4-hydroxyphenyl)methyl]-28-(2-methylsulfanylethyl)-6,12,15,18,21,27,30-heptaoxo-16-propan-2-yl-1,2-dithia-5,11,14,17,20,26,29-heptazacyclodotriacontane-4-carboxamide
Molecular weight1167.48
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP-2.5
SynonymsBDBM85952
Inchi KeyGCICFXMYTKDVNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C49H82N16O11S3/c1-28(2)40-47(76)63-35(25-30-15-17-31(67)18-16-30)43(72)56-21-8-6-14-39(69)61-36(41(50)70)26-78-79-27-37(64-44(73)32(59-29(3)66)11-9-22-57-48(51)52)46(75)62-34(19-24-77-4)42(71)55-20-7-5-13-38(68)60-33(45(74)65-40)12-10-23-58-49(53)54/h15-18,28,32-37,40,67H,5-14,19-27H2,1-4H3,(H2,50,70)(H,55,71)(H,56,72)(H,59,66)(H,60,68)(H,61,69)(H,62,75)(H,63,76)(H,64,73)(H,65,74)(H4,51,52,57)(H4,53,54,58)
PubChem CID57340380
ChEMBLN/A
IUPHARN/A
BindingDB85952
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki65.0 nMPMID12009900BindingDB

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