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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	CHEMBL2431133
Molecular formula	C27H28N4O3
IUPAC name	6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
Molecular weight	456.546
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.2
Synonyms	SMR003080911 MLS-0454791.0001 MolPort-000-830-985 AKOS005547874 STK613295 1-[4-(2-phenyl-6,7-dimethoxyquinazolin-4-yl)piperazinyl]-2-methoxybenzene 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline MLS-0454791.0002 SCHEMBL15819136 BDBM50440763 ZINC8738178 489416-51-5 MCULE-6614147969 AC1NF8TN MLS004254797 [ Show all ]
Inchi Key	LAKZIVWNOULFMV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H28N4O3/c1-32-23-12-8-7-11-22(23)30-13-15-31(16-14-30)27-20-17-24(33-2)25(34-3)18-21(20)28-26(29-27)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3
PubChem CID	4679731
ChEMBL	CHEMBL2431133
IUPHAR	N/A
BindingDB	50440763
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	20000.0 nM	PMID24611085	BindingDB,ChEMBL
Emax	78.0 %	PMID24611085	ChEMBL

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