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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	CHEMBL518675
Molecular formula	C26H22ClF3N4O4
IUPAC name	(2S)-2-[[1-(7-chloroquinolin-4-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight	546.931
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	6.6
Synonyms	BDBM50248140 (2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxamido)-4-methylpentanoic acid
Inchi Key	AWBJCBBPHILPEC-FQEVSTJZSA-N
Inchi ID	InChI=1S/C26H22ClF3N4O4/c1-14(2)11-20(25(36)37)32-24(35)19-13-22(17-5-3-4-6-23(17)38-26(28,29)30)34(33-19)21-9-10-31-18-12-15(27)7-8-16(18)21/h3-10,12-14,20H,11H2,1-2H3,(H,32,35)(H,36,37)/t20-/m0/s1
PubChem CID	44157044
ChEMBL	CHEMBL518675
IUPHAR	N/A
BindingDB	50248140
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
Activity	84.0 %	PMID19195889	ChEMBL
EC50	1214.0 nM	PMID19195889	BindingDB,ChEMBL
Emax	91.0 %	PMID19195889	ChEMBL

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