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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	4-octyl-1,2,3,4-tetrahydro-9H-cyclopenta[b]quinolin-9-imine
Molecular formula	C20H28N2
IUPAC name	4-octyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-imine
Molecular weight	296.458
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.9
Synonyms	CHEMBL1623084 4-Octyl-1,2,3,4-tetrahydro-cyclopenta[b]quinolin-9-ylideneamine MLS000855921 BAS 00138358 STK037128 (4-octyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylidene)amine;hydrobromide 4-octyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-imine cid_16189758 AC1LULR1 MolPort-002-558-545 BDBM76272 ZINC17545153 4-octyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-imine;hydrobromide MCULE-1857165218 AKOS005382597 SMR000286366 [ Show all ]
Inchi Key	ARMSHPQLBWTDEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H28N2/c1-2-3-4-5-6-9-15-22-18-13-8-7-11-16(18)20(21)17-12-10-14-19(17)22/h7-8,11,13,21H,2-6,9-10,12,14-15H2,1H3
PubChem CID	1610853
ChEMBL	N/A
IUPHAR	N/A
BindingDB	76272
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	17700.0 nM	N/A	BindingDB

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