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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	Homo sapiens (Human)
Gene	NTSR2
Synonym	levocabastine-sensitive neurotensin receptor neurotensin receptor type 2 high-affinity levocabastine-sensitive neurotensin receptor NT2R NTR2 NTRL NTS2 receptor NT-R-2 [ Show all ]
Disease	N/A
Length	410
Amino acid sequence	METSSPRPPRPSSNPGLSLDARLGVDTRLWAKVLFTALYALIWALGAAGNALSAHVVLKARAGRAGRLRHHVLSLALAGLLLLLVGVPVELYSFVWFHYPWVFGDLGCRGYYFVHELCAYATVLSVAGLSAERCLAVCQPLRARSLLTPRRTRWLVALSWAASLGLALPMAVIMGQKHELETADGEPEPASRVCTVLVSRTALQVFIQVNVLVSFVLPLALTAFLNGVTVSHLLALCSQVPSTSTPGSSTPSRLELLSEEGLLSFIVWKKTFIQGGQVSLVRHKDVRRIRSLQRSVQVLRAIVVMYVICWLPYHARRLMYCYVPDDAWTDPLYNFYHYFYMVTNTLFYVSSAVTPLLYNAVSSSFRKLFLEAVSSLCGEHHPMKRLPPKPQSPTLMDTASGFGDPPETRT
UniProt	O95665
Protein Data Bank	N/A
GPCR-HGmod model	O95665
3D structure model	This predicted structure model is from GPCR-EXP O95665.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2514
IUPHAR	310
DrugBank	N/A

Ligand

Name	CHEMBL3954824
Molecular formula	C34H54BrN11O7
IUPAC name	(2S)-2-[[3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight	808.78
Hydrogen bond acceptor	10
Hydrogen bond donor	9
XlogP	-3.1
Synonyms	BDBM50206699
Inchi Key	LRYOSYNIIZNWRV-QILQOVKBSA-N
Inchi ID	InChI=1S/C34H54BrN11O7/c1-19(2)18-24(30(50)51)44-31(52)34(13-17-53-26(34)20-9-11-21(35)12-10-20)45-28(48)25-8-5-16-46(25)29(49)23(7-4-15-42-33(39)40)43-27(47)22(36)6-3-14-41-32(37)38/h9-12,19,22-26H,3-8,13-18,36H2,1-2H3,(H,43,47)(H,44,52)(H,45,48)(H,50,51)(H4,37,38,41)(H4,39,40,42)/t22-,23-,24-,25-,26?,34?/m0/s1
PubChem CID	134143837
ChEMBL	CHEMBL3954824
IUPHAR	N/A
BindingDB	50206699
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	1430.0 nM	PMID27842797	BindingDB,ChEMBL
Ki	49000.0 nM	PMID27842797	BindingDB,ChEMBL

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