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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	1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)propan-2-ol
Molecular formula	C22H32N2O
IUPAC name	1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
Molecular weight	340.511
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.3
Synonyms	SMR000339670 BDBM79572 1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride MLS000766774 AKOS001682586 ST50785057 CHEMBL1620130 3-(cyclohexylamino)-1-(3-methyl(5,6,7,8,9-pentahydro-4aH-carbazol-9-yl))propan -2-ol MolPort-007-571-146 AKOS016325844 STK927584 1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-propanol;hydrochloride cid_16195112 [ Show all ]
Inchi Key	AXYFCRIRLKSCRR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3
PubChem CID	16195113
ChEMBL	N/A
IUPHAR	N/A
BindingDB	79572
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	17000.0 nM	N/A	BindingDB

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