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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	CHEMBL3622803
Molecular formula	C38H68N8O8Si2
IUPAC name	(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-trimethylsilylpropanoyl]amino]-3-trimethylsilylpropanoic acid
Molecular weight	821.18
Hydrogen bond acceptor	11
Hydrogen bond donor	9
XlogP	None
Synonyms	BDBM50124135
Inchi Key	GHSASOSXURNENS-JNRWAQIZSA-N
Inchi ID	InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID	122192057
ChEMBL	CHEMBL3622803
IUPHAR	N/A
BindingDB	50124135
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	0.34 nM	PMID26348111	ChEMBL
EC50	0.34 nM	PMID26348111	BindingDB
EC50	11.0 nM	PMID26348111	BindingDB,ChEMBL
IC50	15.0 nM	PMID26348111	BindingDB
IC50	15.4 nM	PMID26348111	ChEMBL

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