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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	CHEMBL2431118
Molecular formula	C25H32N4O3
IUPAC name	6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylpropyl)quinazoline
Molecular weight	436.556
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.1
Synonyms	BDBM50440767 MLS-0471511.0001 SCHEMBL15819842
Inchi Key	JMACYYSITUBWPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32N4O3/c1-17(2)14-24-26-19-16-23(32-5)22(31-4)15-18(19)25(27-24)29-12-10-28(11-13-29)20-8-6-7-9-21(20)30-3/h6-9,15-17H,10-14H2,1-5H3
PubChem CID	56593282
ChEMBL	CHEMBL2431118
IUPHAR	N/A
BindingDB	50440767
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	15000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	96.3 %	PMID24611085	ChEMBL

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