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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL2431131
Molecular formula	C23H25ClN4O2
IUPAC name	4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
Molecular weight	424.929
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.7
Synonyms	SCHEMBL15818963 BDBM50440762 MLS-0471515.0001
Inchi Key	KMQHCXSTAQSUDR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25ClN4O2/c1-29-20-13-16-18(14-21(20)30-2)25-22(15-7-8-15)26-23(16)28-11-9-27(10-12-28)19-6-4-3-5-17(19)24/h3-6,13-15H,7-12H2,1-2H3
PubChem CID	56593272
ChEMBL	CHEMBL2431131
IUPHAR	N/A
BindingDB	50440762
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	20000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	100.0 %	PMID24611085	ChEMBL

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