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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

NameCHEMBL1823015
Molecular formulaC18H19N3O2
IUPAC nameN-[2-(5-methoxy-2-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
Molecular weight309.369
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50352003
Inchi KeyALALJKSOACBDAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19N3O2/c1-12(22)19-11-10-14-17(13-6-4-3-5-7-13)20-15-8-9-16(23-2)21-18(14)15/h3-9,20H,10-11H2,1-2H3,(H,19,22)
PubChem CID56659223
ChEMBLCHEMBL1823015
IUPHARN/A
BindingDB50352003
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.2 nMPMID21764185BindingDB,ChEMBL

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