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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

NameCHEMBL99000
Molecular formulaC14H18N2O2
IUPAC nameN-[3-(5-methoxy-1H-indol-2-yl)propyl]acetamide
Molecular weight246.31
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM85366
N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 13
N-[3-(5-Methoxy-1H-indole-2-yl)propyl]acetamide
Inchi KeyCKANAWZKQSCHLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N2O2/c1-10(17)15-7-3-4-12-8-11-9-13(18-2)5-6-14(11)16-12/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
PubChem CID10658090
ChEMBLCHEMBL99000
IUPHARN/A
BindingDB85366
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IAr0.16 -PMID11520198ChEMBL
Ki102329.0 nMPMID11520198ChEMBL

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