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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	CHEMBL2431132
Molecular formula	C23H26N4O4S
IUPAC name	4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
Molecular weight	454.545
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.1
Synonyms	BDBM50440740 MLS-0469656.0001 1-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-4-(phenylsulfonyl)piperazine SMR003080914 MLS004254801 SCHEMBL15818954 [ Show all ]
Inchi Key	MHFYXZJTMQZPBR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4O4S/c1-30-20-14-18-19(15-21(20)31-2)24-22(16-8-9-16)25-23(18)26-10-12-27(13-11-26)32(28,29)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
PubChem CID	56593283
ChEMBL	CHEMBL2431132
IUPHAR	N/A
BindingDB	50440740
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	<80000.0 nM	PMID24611085	BindingDB,ChEMBL

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