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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

Name7-Azamelatonin
Molecular formulaC12H15N3O2
IUPAC nameN-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
Molecular weight233.271
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP0.9
SynonymsN-[2-(5-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-yl)ethyl]acetamide
CHEMBL137969
SCHEMBL8135627
BDBM50340330
N-[2-(5-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethyl]-acetamide
Inchi KeyCOGBYVKHQGKYBA-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
PubChem CID19703063
ChEMBLCHEMBL137969
IUPHARN/A
BindingDB50340330
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50380.0 nMPMID21420861BindingDB,ChEMBL
ECmax101.0 %PMID21420861ChEMBL
Ki117.0 nMPMID26785296, PMID21420861BindingDB,ChEMBL

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