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GPCR

NameMelatonin receptor type 1B
SpeciesHomo sapiens (Human)
GeneMTNR1B
SynonymMT2 receptor
mel1b receptor
Mel-1B-R
DiseaseEpilepsy
Length362
Amino acid sequenceMSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
UniProtP49286
Protein Data BankN/A
GPCR-HGmod modelP49286
3D structure modelThis predicted structure model is from GPCR-EXP P49286.
BioLiPN/A
Therapeutic Target DatabaseT48268
ChEMBLCHEMBL1946
IUPHAR288
DrugBankBE0000327

Ligand

NameCHEMBL382439
Molecular formulaC19H26N2O2
IUPAC nameN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
Molecular weight314.429
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50188403
N-(2-(5-methoxy-1-methyl-1H-indol-3-yl)-2-methylpropyl)cyN-(2-(5-Methoxy-1-methyl-1H-indol-3-yl)-2-methylpropyl)cyclobutanecarboxamide
Inchi KeyBYKMJQBTDAIGIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)
PubChem CID11515177
ChEMBLCHEMBL382439
IUPHARN/A
BindingDB50188403
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki33.1 nMPMID16759094BindingDB,ChEMBL

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