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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	CHEMBL3622806
Molecular formula	C39H68N8O8Si
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(5R)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]-3,3-dimethyl-1,3-azasilolidine-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	805.106
Hydrogen bond acceptor	11
Hydrogen bond donor	9
XlogP	None
Synonyms	BDBM50124143 N-[[(5R)-1-(L-Lys-L-Lys-)-3,3-Dimethyl-1-aza-3-silacyclopentane-5beta-yl]carbonyl]-L-Tyr-L-Ile-L-Leu-OH
Inchi Key	KCJQSOXJEGOSQZ-GCNYMACQSA-N
Inchi ID	InChI=1S/C39H68N8O8Si/c1-7-25(4)33(37(52)45-31(39(54)55)20-24(2)3)46-35(50)30(21-26-14-16-27(48)17-15-26)44-36(51)32-22-56(5,6)23-47(32)38(53)29(13-9-11-19-41)43-34(49)28(42)12-8-10-18-40/h14-17,24-25,28-33,48H,7-13,18-23,40-42H2,1-6H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
PubChem CID	101171051
ChEMBL	CHEMBL3622806
IUPHAR	N/A
BindingDB	50124143
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
IC50	15.0 nM	PMID26348111	BindingDB
IC50	15.2 nM	PMID26348111	ChEMBL

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