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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	MLS000702659
Molecular formula	C13H16N2O3
IUPAC name	4-[3-methyl-4-[(Z)-2-nitroethenyl]phenyl]morpholine
Molecular weight	248.282
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.3
Synonyms	HMS2595D06 4-[3-methyl-4-[(Z)-2-nitroethenyl]phenyl]morpholine AC1LWRCJ ZINC4457206 CHEMBL1310644 4-[3-methyl-4-[(Z)-2-nitrovinyl]phenyl]morpholine BDBM79545 cid_1782673 4-(4-{2-nitrovinyl}-3-methylphenyl)morpholine SMR000226523 [ Show all ]
Inchi Key	CWWALEMHFPAAPJ-PLNGDYQASA-N
Inchi ID	InChI=1S/C13H16N2O3/c1-11-10-13(14-6-8-18-9-7-14)3-2-12(11)4-5-15(16)17/h2-5,10H,6-9H2,1H3/b5-4-
PubChem CID	1782673
ChEMBL	CHEMBL1310644
IUPHAR	N/A
BindingDB	79545
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	22400.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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