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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	MLS000663547
Molecular formula	C17H16N6O5
IUPAC name	1-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitrophenyl)urea
Molecular weight	384.352
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.3
Synonyms	HMS2697L23 SR-01000276120-1 BDBM50480 MolPort-001-589-859 ZINC13153222 1-[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitrophenyl)urea CHEMBL1482308 SMR000294089 AC1MG3TB MCULE-5677428800 ST50833022 1-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitrophenyl)urea CHEBI:121801 N-(7-morpholin-4-ylbenzo[2,3-c]1,2,5-oxadiazol-4-yl)[(4-nitrophenyl)amino]carb oxamide 1-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-(4-nitrophenyl)urea cid_2955071 SR-01000276120 AKOS003324491 STK466282 1-(7-morpholinobenzofurazan-4-yl)-3-(4-nitrophenyl)urea N-[7-(4-morpholinyl)-2,1,3-benzoxadiazol-4-yl]-N'-(4-nitrophenyl)urea [ Show all ]
Inchi Key	BJJUETIRJVEVLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N6O5/c24-17(18-11-1-3-12(4-2-11)23(25)26)19-13-5-6-14(16-15(13)20-28-21-16)22-7-9-27-10-8-22/h1-6H,7-10H2,(H2,18,19,24)
PubChem CID	2955071
ChEMBL	CHEMBL1482308
IUPHAR	N/A
BindingDB	50480
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	<40000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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