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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Melatonin receptor type 1A
Species	Homo sapiens (Human)
Gene	MTNR1A
Synonym	MT1 receptor MelR Mel1a receptor Mel-1A-R
Disease	Insomnia Anxiety disorder Circadian rhythm sleep disorder Major depressive disorder Sleep disorders
Length	350
Amino acid sequence	MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
UniProt	P48039
Protein Data Bank	N/A
GPCR-HGmod model	P48039
3D structure model	This predicted structure model is from GPCR-EXP P48039.
BioLiP	N/A
Therapeutic Target Database	T97613
ChEMBL	CHEMBL1945
IUPHAR	287
DrugBank	BE0000515

Ligand

Name	luzindole
Molecular formula	C19H20N2O
IUPAC name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide
Molecular weight	292.382
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	3.6
Synonyms	MolPort-003-848-430 N-{2-[2-benzylindol-3-yl]ethyl}acetamide SR-01000597433 117946-91-5 AM20020263 CHEBI:131788 HMS3266N04 N-0774 NSC_122162 Tocris-0877 7354AH B6483 CHEMBL286615 L000360 Luzindole, >=90% N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide RT-013606 ZINC3941 Acetamide, N-(2-(2-(phenylmethyl)-1H-indol-3-yl)ethyl)- BRD-K67013324-001-01-5 FT-0628053 N 0774 NCGC00024838-01 SR-01000597433-1 AMOT0032 CHEBI:93173 J-003685 L0316 N-Acetyl-2-benzyl-tryptamine PDSP1_001788 TRA0042414 BDBM85065 CTK8E7069 MFCD00672498 N-[2-[2-(Phenylmethyl)-1H-indol-3-yl]ethyl]acetamide SCHEMBL4869000 AKOS024458674 CAS_117946-91-5 GTPL1363 N-(2-(2-benzyl-1H-indol-3-yl)ethyl)acetamide NCGC00024838-02 ST50405851 2-Benzyl-N-acetyltryptamine AN-25006 KS-00001828 N-Acetyl-2-benzyltryptamine PDSP2_001771 ZB000552 AC1L3U3V BN0311 DTXSID40151969 [ Show all ]
Inchi Key	WVVXBPKOIZGVNS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
PubChem CID	122162
ChEMBL	CHEMBL286615
IUPHAR	1363
BindingDB	85065
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	-0.12 -	PMID12672242	ChEMBL
Ki	158.0 nM	PMID24228714, PMID9089668	PDSP,BindingDB,ChEMBL
Ki	158.489 - 630.958 nM	PMID10696085, PMID12764576, PMID9089668, PMID2843633	IUPHAR
Ki	251.18 nM	PMID9618428	PDSP,BindingDB
Ki	512.86 nM	PMID9840420	PDSP,BindingDB
Ki	603.0 nM	PMID10737738	BindingDB,ChEMBL
Ki	794.33 nM	PMID17346859	ChEMBL
pRA1	-2.98 -	PMID12672242	ChEMBL

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