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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

NameCHEMBL99534
Molecular formulaC12H14N2O2
IUPAC nameN-[(4-methoxy-1H-indol-2-yl)methyl]acetamide
Molecular weight218.256
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.2
Synonyms213682-28-1
BDBM85363
N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 8
N-[(4-Methoxy-1H-indole-2-yl)methyl]acetamide
Acetamide, N-[(4-methoxy-1H-indol-2-yl)methyl]-
Inchi KeyCGDCGWOJLFRNME-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14N2O2/c1-8(15)13-7-9-6-10-11(14-9)4-3-5-12(10)16-2/h3-6,14H,7H2,1-2H3,(H,13,15)
PubChem CID10656443
ChEMBLCHEMBL99534
IUPHARN/A
BindingDB85363
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IAr0.42 -PMID11520198ChEMBL
Ki812.83 nMPMID11520198ChEMBL

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