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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	3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol
Molecular formula	C20H14N4O3
IUPAC name	3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]phenol
Molecular weight	358.357
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	MolPort-000-663-853 SR-01000488564 3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]phenol cid_1187240 Neuro1_000607 STK842858 432500-27-1 MCULE-5701514169 SBB015496 AKOS000273163 MolPort-000-793-434 SR-01000488564-1 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]phenol CHEMBL1523597 HMS2880I15 Oprea1_192951 ZINC16994048 MLS001196791 SMR000555962 BDBM58429 ChemDiv1_009745 NCGC00274817-01 ST50192043 HMS614K21 Oprea1_672062 AB00830638-07 [ Show all ]
Inchi Key	CWTDCUNNIJYHKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H14N4O3/c25-16-5-3-4-14(12-16)21-20-17-6-1-2-7-18(17)22-19(23-20)13-8-10-15(11-9-13)24(26)27/h1-12,25H,(H,21,22,23)
PubChem CID	1187240
ChEMBL	CHEMBL1523597
IUPHAR	N/A
BindingDB	58429
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	15300.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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