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GLASS

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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	MLS000587237
Molecular formula	C20H18N2O4
IUPAC name	(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
Molecular weight	350.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	(5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-6-hydroxy-3-[4-(propan-2-yl)phenyl]pyrimidine-2,4(3H,5H)-dione AKOS005544156 MolPort-002-567-471 (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione CHEMBL1509980 STK608858 AC1LZH7U (5E)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione BDBM79560 SMR000211311 (5Z)-5-[(E)-3-(2-furyl)prop-2-enylidene]-1-p-cumenyl-barbituric acid cid_1922630 ZINC8914163 (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione AKOS000323973 MolPort-000-829-099 (5E)-5-[(E)-3-(2-furyl)prop-2-enylidene]-1-p-cumenyl-barbituric acid STK176474 5-[(E)-3-Furan-2-yl-prop-2-en-(E)-ylidene]-1-(4-isopropyl-phenyl)-pyrimidine-2,4,6-trione HMS2639M14 [ Show all ]
Inchi Key	CJOKZQXLSSIEPY-GOBGXLLKSA-N
Inchi ID	InChI=1S/C20H18N2O4/c1-13(2)14-8-10-15(11-9-14)22-19(24)17(18(23)21-20(22)25)7-3-5-16-6-4-12-26-16/h3-13H,1-2H3,(H,21,23,25)/b5-3+,17-7+
PubChem CID	1922630
ChEMBL	CHEMBL1509980
IUPHAR	N/A
BindingDB	N/A
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	19000.0 nM	PubChem BioAssay data set	ChEMBL

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