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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	MLS001197324
Molecular formula	C25H25N3O7S
IUPAC name	methyl 2-[4-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Molecular weight	511.549
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AC1NSHKW MolPort-002-153-926 CHEMBL3210863 methyl {4-[(E)-(2-{[(2-methoxyphenyl)(phenylsulfonyl)amino]acetyl}hydrazinylidene)methyl]phenoxy}acetate (non-preferred name) AKOS001623557 SMR000555289 MCULE-9717156056 A0763/0035653 STK742585 methyl 2-[4-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate [ Show all ]
Inchi Key	BNBBFTGNLHTAEL-WGOQTCKBSA-N
Inchi ID	InChI=1S/C25H25N3O7S/c1-33-23-11-7-6-10-22(23)28(36(31,32)21-8-4-3-5-9-21)17-24(29)27-26-16-19-12-14-20(15-13-19)35-18-25(30)34-2/h3-16H,17-18H2,1-2H3,(H,27,29)/b26-16+
PubChem CID	5334257
ChEMBL	CHEMBL3210863
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	6650.0 nM	PubChem BioAssay data set	ChEMBL

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