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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	CHEMBL2431111
Molecular formula	C29H32N4O2
IUPAC name	4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-6-ethoxy-7-methoxy-2-phenylquinazoline
Molecular weight	468.601
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.3
Synonyms	BDBM50440750
Inchi Key	LTTBBFCZVUSRDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H32N4O2/c1-5-35-26-18-23-24(19-25(26)34-4)30-28(22-12-7-6-8-13-22)31-29(23)33-16-14-32(15-17-33)27-20(2)10-9-11-21(27)3/h6-13,18-19H,5,14-17H2,1-4H3
PubChem CID	73356947
ChEMBL	CHEMBL2431111
IUPHAR	N/A
BindingDB	50440750
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	61000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	100.0 %	PMID24611085	ChEMBL

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