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GLASS

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GPCR

Name	Melatonin receptor type 1B
Species	Homo sapiens (Human)
Gene	MTNR1B
Synonym	MT2 receptor mel1b receptor Mel-1B-R
Disease	Epilepsy
Length	362
Amino acid sequence	MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
UniProt	P49286
Protein Data Bank	N/A
GPCR-HGmod model	P49286
3D structure model	This predicted structure model is from GPCR-EXP P49286.
BioLiP	N/A
Therapeutic Target Database	T48268
ChEMBL	CHEMBL1946
IUPHAR	288
DrugBank	BE0000327

Ligand

Name	CHEMBL3329375
Molecular formula	C20H19FN2O3
IUPAC name	N-(4-fluorophenyl)-12,14-dioxa-3-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene-3-carboxamide
Molecular weight	354.381
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50027435
Inchi Key	ABNCXZLRMPDLES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19FN2O3/c21-14-3-5-15(6-4-14)22-20(24)23-7-1-2-12-8-13-9-17-18(26-11-25-17)10-16(13)19(12)23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,22,24)
PubChem CID	118712358
ChEMBL	CHEMBL3329375
IUPHAR	N/A
BindingDB	50027435
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID25232966	BindingDB,ChEMBL

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