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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

NameLuzindole,N-butanoyl
Molecular formulaC21H24N2O
IUPAC nameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]butanamide
Molecular weight320.436
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP4.4
SynonymsN-[2-(2-Benzyl-1H-indole-3-yl)ethyl]butanamide
BDBM85382
Inchi KeyLACXBJPBVGHRGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2O/c1-2-8-21(24)22-14-13-18-17-11-6-7-12-19(17)23-20(18)15-16-9-4-3-5-10-16/h3-7,9-12,23H,2,8,13-15H2,1H3,(H,22,24)
PubChem CID53317949
ChEMBLN/A
IUPHARN/A
BindingDB85382
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1318.25 nMPMID9840420BindingDB

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