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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	CHEMBL2431106
Molecular formula	C25H30N4O2
IUPAC name	2-cyclopropyl-6,7-dimethoxy-4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]quinazoline
Molecular weight	418.541
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50440759 MLS-0471513.0001 SCHEMBL15819681
Inchi Key	NTOIAIPOJUIVOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N4O2/c1-17-4-6-18(7-5-17)16-28-10-12-29(13-11-28)25-20-14-22(30-2)23(31-3)15-21(20)26-24(27-25)19-8-9-19/h4-7,14-15,19H,8-13,16H2,1-3H3
PubChem CID	56593291
ChEMBL	CHEMBL2431106
IUPHAR	N/A
BindingDB	50440759
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	25000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	100.0 %	PMID24611085	ChEMBL

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