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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	CHEMBL2431125
Molecular formula	C24H28N4O2
IUPAC name	2-cyclobutyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
Molecular weight	404.514
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM50440773 MLS-0463325.0001 SCHEMBL15819562
Inchi Key	CIWKHKMZANVYGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N4O2/c1-29-18-10-11-20-19(16-18)24(26-23(25-20)17-6-5-7-17)28-14-12-27(13-15-28)21-8-3-4-9-22(21)30-2/h3-4,8-11,16-17H,5-7,12-15H2,1-2H3
PubChem CID	53245521
ChEMBL	CHEMBL2431125
IUPHAR	N/A
BindingDB	50440773
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	10000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	101.9 %	PMID24611085	ChEMBL

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