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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	MLS000417396
Molecular formula	C27H21FN4O3S
IUPAC name	N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
Molecular weight	500.548
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.5
Synonyms	BDBM79555 MLS003910563 cid_2361995 N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzamide AC1M5WG0 MCULE-6057830799 SMR000242578 MolPort-005-899-939 HMS2513A04 N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide AKOS008027329 ZINC6016918 CHEMBL1563110 N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzamide HMS3375M15 Oprea1_088289 [ Show all ]
Inchi Key	CZXNCDNJBVBOJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H21FN4O3S/c1-17-16-18(28)14-15-25(17)36(34,35)32-22-11-5-3-9-20(22)27(33)31-21-10-4-2-8-19(21)26-29-23-12-6-7-13-24(23)30-26/h2-16,32H,1H3,(H,29,30)(H,31,33)
PubChem CID	2361995
ChEMBL	CHEMBL1563110
IUPHAR	N/A
BindingDB	79555
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	29000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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