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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	CHEMBL3099780
Molecular formula	C23H26N4O5
IUPAC name	(2S)-2-[[2-(2,6-dimethoxyphenyl)-1-pyridin-4-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
Molecular weight	438.484
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BDBM50444953 MLS-0437333.0001 (2S)-2-{[2-(2,6-dimethoxyphenyl)-1-(4-pyridyl)imidazol-4-yl]carbonylamino}-4-methylpentanoic acid MLS004254792 SMR003080907
Inchi Key	DGSICICPWTYPLC-INIZCTEOSA-N
Inchi ID	InChI=1S/C23H26N4O5/c1-14(2)12-16(23(29)30)26-22(28)17-13-27(15-8-10-24-11-9-15)21(25-17)20-18(31-3)6-5-7-19(20)32-4/h5-11,13-14,16H,12H2,1-4H3,(H,26,28)(H,29,30)/t16-/m0/s1
PubChem CID	49837921
ChEMBL	CHEMBL3099780
IUPHAR	N/A
BindingDB	50444953
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	66000.0 nM	PMID24332089	BindingDB,ChEMBL
Emax	100.0 %	PMID24332089	ChEMBL

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