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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	MLS000830378
Molecular formula	C28H26F3N3O2
IUPAC name	methyl (6S)-3-benzyl-2-benzylimino-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Molecular weight	493.53
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	methyl (4S)-1-benzyl-2-(benzylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate SMR000672084 CHEMBL1702299 (4S)-1-benzyl-2-(benzylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester methyl (4S)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate BDBM79290 cid_42601104 (4S)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester [ Show all ]
Inchi Key	CNTLZAQKZNARDW-VWLOTQADSA-N
Inchi ID	InChI=1S/C28H26F3N3O2/c1-19-24(26(35)36-2)25(22-14-9-15-23(16-22)28(29,30)31)33-27(32-17-20-10-5-3-6-11-20)34(19)18-21-12-7-4-8-13-21/h3-16,25H,17-18H2,1-2H3,(H,32,33)/t25-/m0/s1
PubChem CID	135871468
ChEMBL	CHEMBL1702299
IUPHAR	N/A
BindingDB	79290
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	13700.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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