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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	Rattus norvegicus (Rat)
Gene	Ntsr1
Synonym	NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 NTSR1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	424
Amino acid sequence	MHLNSSVPQGTPGEPDAQPFSGPQSEMEATFLALSLSNGSGNTSESDTAGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNSVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLILLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNRSGDGTHPGGLVCTPIVDTATVKVVIQVNTFMSFLFPMLVISILNTVIANKLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRHGVLVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTTFLFDFYHYFYMLTNALFYVSSAINPILYNLVSANFRQVFLSTLACLCPGWRHRRKKRPTFSRKPNSMSSNHAFSTSATRETLY
UniProt	P20789
Protein Data Bank	3zev, 4buo, 4bv0, 4bwb, 5t04
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 3zev.
BioLiP	BL0365097, BL0267346,BL0267350, BL0267315,BL0267316, BL0267314,BL0267317, BL0267354,BL0267355, BL0267356,BL0267357, BL0365096, BL0267347,BL0267348,BL0267349,
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3027
IUPHAR	309
DrugBank	N/A

Ligand

Name	CHEMBL1790461
Molecular formula	C38H62N6O8
IUPAC name	(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(3,3-dimethylbutanoylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	730.948
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	1.5
Synonyms	BDBM50366310
Inchi Key	QSGQYEQTFPTNNN-SORYMUJRSA-N
Inchi ID	InChI=1S/C38H62N6O8/c1-8-24(4)32(35(49)42-29(37(51)52)20-23(2)3)43-33(47)28(21-25-14-16-26(45)17-15-25)41-34(48)30-13-11-19-44(30)36(50)27(12-9-10-18-39)40-31(46)22-38(5,6)7/h14-17,23-24,27-30,32,45H,8-13,18-22,39H2,1-7H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)/t24-,27+,28+,29+,30+,32+/m1/s1
PubChem CID	56672658
ChEMBL	CHEMBL1790461
IUPHAR	N/A
BindingDB	50366310
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	680.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:10:2055	BindingDB,ChEMBL

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