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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	MLS000559431
Molecular formula	C32H33N3O3
IUPAC name	2'-amino-6,7',7',9,11,11-hexamethyl-2,5'-dioxo-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,4'-6,8-dihydrochromene]-3'-carbonitrile
Molecular weight	507.634
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.0
Synonyms	AKOS002530396 SMR000149547 2-amino-4',4',6',7,7,8'-hexamethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-4'{H}-spiro[chromene-4,1'-pyrrolo[3,2,1-{ij}]quinoline]-3-carbonitrile AC1NKD4Y HMS2447N15 AKOS016309081 MLS002584805 CHEMBL1528880 ST50161499 AKOS002267501 MCULE-4788036663 BDBM67858 MolPort-000-511-106 2-amino-4',4',6',7,7,8'-hexamethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile 774561-48-7 cid_4886081 STK210677 [ Show all ]
Inchi Key	BMPGAVJJJFFABI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H33N3O3/c1-18-12-20-26-21(13-18)32(22(16-33)27(34)38-24-15-29(2,3)14-23(36)25(24)32)28(37)35(26)30(4,5)17-31(20,6)19-10-8-7-9-11-19/h7-13H,14-15,17,34H2,1-6H3
PubChem CID	4886081
ChEMBL	CHEMBL1528880
IUPHAR	N/A
BindingDB	67858
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	22000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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