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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	3-phenyl-1,4-benzodioxine-2-carbaldehyde
Molecular formula	C15H10O3
IUPAC name	3-phenyl-1,4-benzodioxine-2-carbaldehyde
Molecular weight	238.242
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.9
Synonyms	cid_677881 SMR000495839 BDBM61115 MCULE-7497430969 287933-33-9 Oprea1_241449 3-phenyl-1,4-benzodioxin-2-carboxaldehyde AC1LDZP0 F8881-3512 ZINC41690 Cambridge id 5156165 MLS001008558 3-formyl-2-phenyl-1,4-benzodioxine CHEMBL1488408 REGID_for_CID_677881 AKOS001012208 HMS2817P13 CCG-2275 MolPort-002-133-759 3-phenyl-1,4-benzodioxin-2-carbaldehyde [ Show all ]
Inchi Key	BQFFKKHQXOJXBD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10O3/c16-10-14-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)17-14/h1-10H
PubChem CID	677881
ChEMBL	CHEMBL1488408
IUPHAR	N/A
BindingDB	61115
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	16000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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