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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	MLS000335649
Molecular formula	C28H38N2O6
IUPAC name	bis[2-(1-adamantylamino)-2-oxoethyl] (E)-but-2-enedioate
Molecular weight	498.62
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.2
Synonyms	bis[2-(1-adamantylamino)-2-oxoethyl] (E)-but-2-enedioate cid_6186682 (E)-but-2-enedioic acid bis[2-(1-adamantylamino)-2-keto-ethyl] ester BDBM79553 MLS003915026 HMS2533L09 bis[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-but-2-enedioate SMR000253403 CHEMBL1379298 (E)-2-butenedioic acid bis[2-(1-adamantylamino)-2-oxoethyl] ester AC1O1ZUU [ Show all ]
Inchi Key	CPGWMQYCDPEZBN-OWOJBTEDSA-N
Inchi ID	InChI=1S/C28H38N2O6/c31-23(29-27-9-17-3-18(10-27)5-19(4-17)11-27)15-35-25(33)1-2-26(34)36-16-24(32)30-28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-16H2,(H,29,31)(H,30,32)/b2-1+
PubChem CID	6186682
ChEMBL	CHEMBL1379298
IUPHAR	N/A
BindingDB	79553
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	<40000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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