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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Neurotensin receptor type 1
Species	Homo sapiens (Human)
Gene	NTSR1
Synonym	NTSR1 NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ Show all ]
Disease	Acute or chronic pain Alcohol use disorders Pain Inflammatory bowel disease Neurological disease
Length	418
Amino acid sequence	MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProt	P30989
Protein Data Bank	N/A
GPCR-HGmod model	P30989
3D structure model	This predicted structure model is from GPCR-EXP P30989.
BioLiP	N/A
Therapeutic Target Database	T02728
ChEMBL	CHEMBL4123
IUPHAR	309
DrugBank	N/A

Ligand

Name	CHEMBL1417160
Molecular formula	C23H27N5O2
IUPAC name	2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
Molecular weight	405.502
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.9
Synonyms	SMR000229279 AC1LNZT8 2-cyclobutyl-6,7-dimethoxy-4-[4-(2-pyridinyl)-1-piperazinyl]quinazoline MolPort-019-775-545 ZINC33293658 BDBM50440758 MLS-0232587.0001 SCHEMBL15819960 2-cyclobutyl-6,7-dimethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline MLS000699291 [ Show all ]
Inchi Key	GPLGXZOMVXBMDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27N5O2/c1-29-19-14-17-18(15-20(19)30-2)25-22(16-6-5-7-16)26-23(17)28-12-10-27(11-13-28)21-8-3-4-9-24-21/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3
PubChem CID	1230851
ChEMBL	CHEMBL1417160
IUPHAR	N/A
BindingDB	50440758
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	26000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	91.4 %	PMID24611085	ChEMBL

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