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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 2
Species	Rattus norvegicus (Rat)
Gene	Ntsr2
Synonym	NTRL NTR2 NT2R NT-R-2 neurotensin receptor type 2 levocabastine-sensitive neurotensin receptor High-affinity levocabastine-sensitive neurotensin receptor NTS2 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	416
Amino acid sequence	METSSPWPPRPSPSAGLSLEARLGVDTRLWAKVLFTALYSLIFAFGTAGNALSVHVVLKARAGRPGRLRYHVLSLALSALLLLLVSMPMELYNFVWSHYPWVFGDLGCRGYYFVRELCAYATVLSVASLSAERCLAVCQPLRARRLLTPRRTRRLLSLVWVASLGLALPMAVIMGQKHEVESADGEPEPASRVCTVLVSRATLQVFIQVNVLVSFALPLALTAFLNGITVNHLMALYSQVPSASAQVSSIPSRLELLSEEGLLGFITWRKTLSLGVQASLVRHKDASQIRSLQHSAQVLRAIVAVYVICWLPYHARRLMYCYIPDDGWTNELYDFYHYFYMVTNTLFYVSSAVTPILYNAVSSSFRKLFLESLGSLCGEQHSLVPLPQEAPESTTSTYSFRLWGSPRNPSLGEIQV
UniProt	Q63384
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	CHEMBL5106
IUPHAR	310
DrugBank	N/A

Ligand

Name	NEUROTENSIN
Molecular formula	C78H121N21O20
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]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	1672.95
Hydrogen bond acceptor	23
Hydrogen bond donor	21
XlogP	-3.7
Synonyms	pGlu-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH 11-Tyr-neurotensin CHEMBL407196 Neurotensin (ox), 11-D-tyrosine- 55508-42-4 MFCD00076678 Neurotensin, tyr(11)- BDBM50130880 pGlu(1)-Leu(2)-Tyr(3)-Glu(4)-Asn(5)-Lys(6)-Pro(7)-Arg(8)-Arg(9)-Pro(10)-Tyr(11)-Ile(12)-Leu(13)-OH D0H8AI Neurotensin 1-13 58889-67-1 MolPort-016-581-032 Neurotensin, tyrosine(11)- (D-Tyr11)neurotensin Neurotensin (ox) pGlu-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu GTPL1579 Neurotensin, >=90% (HPLC) 889N671 NCGC00167274-01 NT(1-13) [ Show all ]
Inchi Key	PCJGZPGTCUMMOT-ISULXFBGSA-N
Inchi ID	InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
PubChem CID	25077406
ChEMBL	CHEMBL407196
IUPHAR	1579
BindingDB	50130880
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	<100.0 nM	PMID25499438	BindingDB,ChEMBL
IC50	6.30957 nM	PMID10318778	IUPHAR
IC50	18.5 nM	PMID24856674	ChEMBL
IC50	19.0 nM	PMID24856674	BindingDB
IC50	42.0 nM	PMID25499438	BindingDB,ChEMBL
IC50	114.0 nM	PMID25157640	BindingDB,ChEMBL
Ki	18.9 nM	PMID24856674	ChEMBL
Ki	19.0 nM	PMID24856674	BindingDB
Ki	21.0 nM	PMID25499438	BindingDB,ChEMBL
Ki	28.0 nM	PMID25157640	BindingDB,ChEMBL

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