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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3622804
Molecular formula	C40H72N8O8Si2
IUPAC name	(2S)-2-[[(2R)-2-[[(2S)-2-[[(5R)-1-[(2S)-6-amino-2-[[(2S)-2,7-diaminoheptanoyl]amino]hexanoyl]-3,3-dimethyl-1,3-azasilolidine-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight	849.234
Hydrogen bond acceptor	11
Hydrogen bond donor	9
XlogP	None
Synonyms	BDBM50124138
Inchi Key	JKNYDBWUVJUVPS-CVUOCSEZSA-N
Inchi ID	InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID	122192058
ChEMBL	CHEMBL3622804
IUPHAR	N/A
BindingDB	50124138
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<1000.0 nM	PMID26348111	BindingDB,ChEMBL
EC50	<10000.0 nM	PMID26348111	BindingDB,ChEMBL
IC50	968.0 nM	PMID26348111	BindingDB,ChEMBL

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