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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	CHEMBL1793838
Molecular formula	C38H66N12O7
IUPAC name	(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	803.023
Hydrogen bond acceptor	11
Hydrogen bond donor	11
XlogP	-2.2
Synonyms	BDBM50369071
Inchi Key	KOENCZKDTYXAJY-VMDDQKJDSA-N
Inchi ID	InChI=1S/C38H66N12O7/c1-5-23(4)31(34(54)49-29(36(56)57)19-22(2)3)46-21-25(20-24-12-14-26(51)15-13-24)47-33(53)30-11-8-18-50(30)35(55)28(10-7-17-45-38(42)43)48-32(52)27(39)9-6-16-44-37(40)41/h12-15,22-23,25,27-31,46,51H,5-11,16-21,39H2,1-4H3,(H,47,53)(H,48,52)(H,49,54)(H,56,57)(H4,40,41,44)(H4,42,43,45)/t23-,25+,27+,28+,29+,30+,31-/m1/s1
PubChem CID	56664871
ChEMBL	CHEMBL1793838
IUPHAR	N/A
BindingDB	50369071
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6310.0 nM	PMID7699693	BindingDB,ChEMBL
Relative potency	0.1 -	PMID7699693	ChEMBL

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