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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	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	neurotensin (8-13)
Molecular formula	C38H64N12O8
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	817.006
Hydrogen bond acceptor	11
Hydrogen bond donor	11
XlogP	-4.0
Synonyms	NT(8-13) CHEMBL415788 60482-95-3 HY-P0251 BDBM50048908 ZINC85577030 (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid CS-7110 AC1NSKF5 L-Leucine,L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl- Neurotensin(8-13) D00TPV Arg-Arg-Pro-Tyr-Ile-Leu-OH MFCD00076686 [ Show all ]
Inchi Key	DQDBCHHEIKQPJD-ODKJCKIQSA-N
Inchi ID	InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
PubChem CID	5311318
ChEMBL	CHEMBL415788
IUPHAR	N/A
BindingDB	50048908
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
EC50	0.0416 nM	PMID24997685	ChEMBL
EC50	1.3 nM	PMID26824643	BindingDB
EC50	1.318 nM	PMID26824643	ChEMBL
EC50	1.4 nM	PMID26348111, PMID26824643	BindingDB,ChEMBL
EC50	1.42 nM	PMID26348111	ChEMBL
EC50	1.85 nM	PMID26348111	ChEMBL
EC50	1.9 nM	PMID26348111	BindingDB
EC50	4.2 nM	PMID24997685	BindingDB
Emax	100.0 %	PMID24997685	ChEMBL
IC50	0.40738 nM	PMID26824643	BindingDB
IC50	0.4074 nM	PMID26824643	ChEMBL
IC50	0.82 nM	PMID26348111	ChEMBL
IC50	0.82 nM	PMID26348111	BindingDB
Ki	0.14 nM	PMID26824643	BindingDB
Ki	0.14 nM	PMID26824643	ChEMBL
Ki	0.24 nM	PMID27842797	ChEMBL
Ki	0.24 nM	PMID27842797	BindingDB

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