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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL3099773
Molecular formula	C27H27ClN4O5
IUPAC name	(2S)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dimethoxyphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
Molecular weight	522.986
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	MLS-0437331.0001 NCGC00386838-01 (2S)-2-{[2-(2,6-dimethoxyphenyl)-1-(7-chloro(4-quinolyl))imidazol-4-yl]carbonylamino}-4-methylpentanoic acid MLS-0437331.0002 BDBM50444943 SMR003080904 ML301 1531633-84-7 MLS004254788 [ Show all ]
Inchi Key	OUZUXYQXCXYGMX-IBGZPJMESA-N
Inchi ID	InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1
PubChem CID	49837912
ChEMBL	CHEMBL3099773
IUPHAR	N/A
BindingDB	50444943
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	298.0 nM	PMID24997685, PMID24332089	BindingDB,ChEMBL
EC50	2000.0 nM	PMID24332089	BindingDB,ChEMBL
EC50	6100.0 nM	PMID24332089	BindingDB,ChEMBL
Emax	79.0 %	PMID24332089	ChEMBL
Emax	93.0 %	PMID24997685, PMID24332089	ChEMBL
Emax	100.0 %	PMID24332089	ChEMBL
Ki	10000.0 nM	PMID24332089	BindingDB,ChEMBL
Ratio EC50	5.0 -	PMID24332089	ChEMBL

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