Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	BN0311 DTXSID40151969 N-Acetyl-2-benzyltryptamine PDSP2_001771 ZB000552 AC1L3U3V AM20020263 CHEBI:131788 HMS3266N04 MolPort-003-848-430 N-{2-[2-benzylindol-3-yl]ethyl}acetamide SR-01000597433 117946-91-5 B6483 CHEMBL286615 L000360 N-0774 NSC_122162 Tocris-0877 7354AH BRD-K67013324-001-01-5 FT-0628053 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)- AMOT0032 CHEBI:93173 J-003685 N 0774 NCGC00024838-01 SR-01000597433-1 BDBM85065 CTK8E7069 L0316 N-Acetyl-2-benzyl-tryptamine PDSP1_001788 TRA0042414 AKOS024458674 CAS_117946-91-5 GTPL1363 MFCD00672498 N-[2-[2-(Phenylmethyl)-1H-indol-3-yl]ethyl]acetamide SCHEMBL4869000 AN-25006 KS-00001828 N-(2-(2-benzyl-1H-indol-3-yl)ethyl)acetamide NCGC00024838-02 ST50405851 2-Benzyl-N-acetyltryptamine [ 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

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218