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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	MLS000109200
Molecular formula	C21H24N2O6S
IUPAC name	ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
Molecular weight	432.491
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.1
Synonyms	BAS 00315673 SR-01000395898 4-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid ethyl ester CHEMBL1390986 Oprea1_521540 AC1LLBXY ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate SCHEMBL13532180 BDBM79523 MolPort-001-895-598 SR-01000395898-1 4-[[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester cid_1081942 regid7974873 AKOS000731307 HMS2280O19 SMR000105146 4-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Oprea1_080062 ZINC797274 ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate REGID_for_CID_1081942 [ Show all ]
Inchi Key	CJIYULUIIQBLAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O6S/c1-3-29-21(25)16-6-8-18(9-7-16)22-20(24)17-5-4-15(2)19(14-17)30(26,27)23-10-12-28-13-11-23/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
PubChem CID	1081942
ChEMBL	CHEMBL1390986
IUPHAR	N/A
BindingDB	79523
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	17300.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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