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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	BDBM58043
Molecular formula	C18H18N4O3S2
IUPAC name	4-[2-[(4-hydroxyphenyl)methyldiazenyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
Molecular weight	402.487
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.5
Synonyms	N,N-dimethyl-4-[2-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide 4-[2-[N''-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide cid_5879183 N,N-dimethyl-4-[2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-4-thiazolyl]benzenesulfonamide
Inchi Key	BCJUERWJFMEYJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)16-9-5-14(6-10-16)17-12-26-18(20-17)21-19-11-13-3-7-15(23)8-4-13/h3-10,12,23H,11H2,1-2H3
PubChem CID	91897349
ChEMBL	N/A
IUPHAR	N/A
BindingDB	58043
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	6620.0 nM	N/A	BindingDB

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