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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Neurotensin receptor type 1
Species	Mus musculus (Mouse)
Gene	Ntsr1
Synonym	NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor NTSR1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	424
Amino acid sequence	MHLNSSVQQGAPSEPGAQPFPHPQFGLETMLLALSLSNGSGNSSESILEPNSNLDVNTDIYSKVLVTAVYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGLQNRSADGQHPGGLVCTPTVDTATVKVVIQVNTFMSFLFPMLIISILNTVIANKLTVMVHQAAEQGRGVCTVGTHNSLEHSTFNMSIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRRRRKKRPTFSRKPNSMSSNHAFSTSATRETLY
UniProt	O88319
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3570
IUPHAR	309
DrugBank	N/A

Ligand

Name	CHEMBL367552
Molecular formula	C38H65N13O7
IUPAC name	(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	816.022
Hydrogen bond acceptor	10
Hydrogen bond donor	11
XlogP	-0.9
Synonyms	BDBM50281783 (S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carboxylic acid [1-[(S)-1-((R)-carbamoyl-3-(S)-1-methyl-butylcarbamoyl)-2-methyl-butylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-amide
Inchi Key	KBAKOVWXOWLWJJ-CSJNAZMVSA-N
Inchi ID	InChI=1S/C38H65N13O7/c1-5-22(4)30(35(57)48-27(31(40)53)19-21(2)3)50-33(55)28(20-23-12-14-24(52)15-13-23)49-34(56)29-11-8-18-51(29)36(58)26(10-7-17-46-38(43)44)47-32(54)25(39)9-6-16-45-37(41)42/h12-15,21-22,25-30,52H,5-11,16-20,39H2,1-4H3,(H2,40,53)(H,47,54)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,45)(H4,43,44,46)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
PubChem CID	44384693
ChEMBL	CHEMBL367552
IUPHAR	N/A
BindingDB	50281783
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	10.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:5:949	BindingDB,ChEMBL

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