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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	MLS002166510
Molecular formula	C24H26O7
IUPAC name	(2-oxooxolan-3-yl) 2-(3,4-dipropoxybenzoyl)benzoate
Molecular weight	426.465
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.9
Synonyms	MolPort-003-249-986 AKOS016858859 2-(3,4-dipropoxybenzoyl)benzoic acid (2-ketotetrahydrofuran-3-yl) ester CHEMBL1483683 MCULE-3382072684 AC1NNCSR SMR001248858 (2-oxidanylideneoxolan-3-yl) 2-(3,4-dipropoxyphenyl)carbonylbenzoate BDBM79595 2-[(3,4-dipropoxyphenyl)-oxomethyl]benzoic acid (2-oxo-3-oxolanyl) ester cid_5024835 AKOS001043856 (2-oxooxolan-3-yl) 2-(3,4-dipropoxybenzoyl)benzoate HMS3065K17 [ Show all ]
Inchi Key	APUOHHVGNOQUIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26O7/c1-3-12-28-19-10-9-16(15-21(19)29-13-4-2)22(25)17-7-5-6-8-18(17)23(26)31-20-11-14-30-24(20)27/h5-10,15,20H,3-4,11-14H2,1-2H3
PubChem CID	5024835
ChEMBL	CHEMBL1483683
IUPHAR	N/A
BindingDB	79595
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	19800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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