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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

NameCHEMBL3329369
Molecular formulaC13H17NO2
IUPAC name1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine-7,8-diol
Molecular weight219.284
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50027385
Inchi KeyCMNWERCMEQHPQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H17NO2/c1-14-4-2-3-8-5-9-6-11(15)12(16)7-10(9)13(8)14/h6-8,13,15-16H,2-5H2,1H3
PubChem CID118712352
ChEMBLCHEMBL3329369
IUPHARN/A
BindingDB50027385
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID25232966BindingDB,ChEMBL

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