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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	CHEMBL2431128
Molecular formula	C24H26N4O3
IUPAC name	6-cyclobutyl-8-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,3]dioxolo[4,5-g]quinazoline
Molecular weight	418.497
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.5
Synonyms	BDBM50440755 MLS-0463414.0001 SCHEMBL15824812
Inchi Key	PWJIZHGNECXEFM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N4O3/c1-29-20-8-3-2-7-19(20)27-9-11-28(12-10-27)24-17-13-21-22(31-15-30-21)14-18(17)25-23(26-24)16-5-4-6-16/h2-3,7-8,13-14,16H,4-6,9-12,15H2,1H3
PubChem CID	53245574
ChEMBL	CHEMBL2431128
IUPHAR	N/A
BindingDB	50440755
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	34000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	87.0 %	PMID24611085	ChEMBL

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