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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	SR142948A
Molecular formula	C39H51N5O6
IUPAC name	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Molecular weight	685.866
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.6
Synonyms	MLS-0437457.0001 SR 142948A 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid BDBM85050 DTXSID50415529 PDSP1_001736 SR-142948A 184162-21-8 CHEBI:93589 J-011801 LWULHXVBLMWCHO-UHFFFAOYSA-N SR 142948 2-[[5-(2,6-dimethoxyphenyl)-1-(4-(N-(3-dimethylaminopropyl)-N-methylcarbamoyl)-2-isopropylphenyl)-1H-pyrazole3-carbonyl]amino] adamantane-2-carboxylic acid hydrochloride B7012 CHEMBL3040381 MolPort-023-276-389 SR-142,948 2-[[[5-(2,6-DIMETHOXYPHENYL)-1-[4-[[[3-(DIMETHYLAMINO)PROPYL]METHYLAMINO]CARBONYL]-2-(1-METHYLETHYL)PHENYL]-1H-PYRAZOL-3-YL]CARBONYL]AMINO]-TRICYCLO[3.3.1.13,7]DECANE-2-CARBOXYLIC ACID BRD-K91243525-001-01-5 GTPL1580 KB-275336 PDSP2_001719 184162-64-9 AC1NSKNX CHEMBL2431105 MFCD03106502 SR 142948 hydrochloride 2-[[5-(2,6-dimethoxyphenyl)-1-[4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid BDBM50440738 D0OJ7S NCGC00167732-01 SR-142948 CAS_184162-64-9 HMS3268L04 L015605 SCHEMBL7558783 ZINC3928282 2-[5-(2,6-dimethoxyphenyl)-1-[4-[N-methyl-N-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl]-3-pyrazolylcarbonylamino]-2-adamantanecarboxylic acid AKOS024457043 [ Show all ]
Inchi Key	LWULHXVBLMWCHO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
PubChem CID	5311451
ChEMBL	CHEMBL3040381
IUPHAR	1580
BindingDB	85050, 50440738
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<80000.0 nM	PMID24332089	BindingDB
EC50	10000.0 nM	PMID24611085	BindingDB
IC50	0.24 nM	PMID24611085	BindingDB
IC50	0.24 nM	PMID24332089	BindingDB
IC50	1.25893 nM	PMID9023294	IUPHAR
IC50	3.162 nM	PMID26824643	ChEMBL
IC50	3.2 nM	PMID26824643	BindingDB
IC50	4.0 nM	PMID24997685	ChEMBL
IC50	4.0 nM	PMID24997685	BindingDB
IC50	50.0 nM	PMID24611085	BindingDB
Ki	1.0 nM	PMID24160350	BindingDB
Ki	1.0 nM	PMID24160350	ChEMBL
Ki	1.1 nM	PMID26824643	BindingDB,ChEMBL

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