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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	MLS001047411
Molecular formula	C19H14N2O3
IUPAC name	(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
Molecular weight	318.332
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM60809 SMR000425420 (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]barbituric acid cid_910773 STK708166 AC1LIT1N MolPort-002-139-068 (5Z)-1-phenyl-5-[(2E)-3-phenylprop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione SR-01000200409 1-Phenyl-5-[(E)-3-phenyl-prop-2-en-(Z)-ylidene]-pyrimidine-2,4,6-trione ZINC17027896 AKOS003660840 SCHEMBL13164871 (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione CHEMBL1466699 SR-01000200409-1 94212-33-6 MolPort-000-813-920 [ Show all ]
Inchi Key	COXDMRSXWPMFJU-SBFJKYRKSA-N
Inchi ID	InChI=1S/C19H14N2O3/c22-17-16(13-7-10-14-8-3-1-4-9-14)18(23)21(19(24)20-17)15-11-5-2-6-12-15/h1-13H,(H,20,22,24)/b10-7+,16-13-
PubChem CID	910773
ChEMBL	CHEMBL1466699
IUPHAR	N/A
BindingDB	N/A
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	15100.0 nM	PubChem BioAssay data set	ChEMBL

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