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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	CHEMBL2431112
Molecular formula	C21H24N4O3
IUPAC name	6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
Molecular weight	380.448
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.5
Synonyms	229476-65-7 MLS-0454797.0001 AKOS002365198 ZINC32544286 MolPort-008-341-882 BDBM50440780 MCULE-6262182369 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline STK940146 [ Show all ]
Inchi Key	OTRKBWNAVFQFNL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N4O3/c1-26-18-7-5-4-6-17(18)24-8-10-25(11-9-24)21-15-12-19(27-2)20(28-3)13-16(15)22-14-23-21/h4-7,12-14H,8-11H2,1-3H3
PubChem CID	10339735
ChEMBL	CHEMBL2431112
IUPHAR	N/A
BindingDB	50440780
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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