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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	N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
Molecular formula	C24H17N5O2
IUPAC name	N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
Molecular weight	407.433
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	HMS2604L16 N-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide BDBM79546 N-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]nicotinamide MCULE-4959465412 AC1M7UY4 cid_2449912 Z49575452 390375-07-2 N'-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}pyridine-3-carbohydrazide AKOS034406427 N-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-pyridinecarboxamide [ Show all ]
Inchi Key	CAEZKMVXBNAAGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)
PubChem CID	2449912
ChEMBL	N/A
IUPHAR	N/A
BindingDB	79546
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	<40000.0 nM	N/A	BindingDB

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