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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000879430
Molecular formula	C32H35NO5
IUPAC name	5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]-4-phenylchromen-2-one
Molecular weight	513.634
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.0
Synonyms	5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidino-propyl]-4-phenyl-coumarin KUC101448N REGID_for_CID_16746296 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-yl-propyl]-4-phenyl-chromen-2-one HMS2220I09 4-Phenyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidinopropyl]-2H-1-benzopyran-2-one CHEMBL1405092 SMR000465565 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]-4-phenylchromen-2-one HMS3334C07 BDBM79580 NCGC00166474-01 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(1-piperidinyl)propyl]-4-phenyl-1-benzopyran-2-one cid_16746296 [ Show all ]
Inchi Key	BYWUJRKZXJZLPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H35NO5/c1-35-24-14-12-23(13-15-24)25(16-19-33-17-8-5-9-18-33)30-27(36-2)21-28(37-3)31-26(20-29(34)38-32(30)31)22-10-6-4-7-11-22/h4,6-7,10-15,20-21,25H,5,8-9,16-19H2,1-3H3
PubChem CID	16746296
ChEMBL	CHEMBL1405092
IUPHAR	N/A
BindingDB	79580
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	14700.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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