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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	CHEMBL3941970
Molecular formula	C34H54BrN9O7
IUPAC name	(2S)-2-[[3-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
Molecular weight	780.766
Hydrogen bond acceptor	10
Hydrogen bond donor	8
XlogP	-2.2
Synonyms	BDBM50206705
Inchi Key	PRIGXNBMRKIROG-XFHAQAAWSA-N
Inchi ID	InChI=1S/C34H54BrN9O7/c1-20(2)19-25(31(48)49)42-32(50)34(14-18-51-27(34)21-10-12-22(35)13-11-21)43-29(46)26-9-6-17-44(26)30(47)24(8-3-4-15-36)41-28(45)23(37)7-5-16-40-33(38)39/h10-13,20,23-27H,3-9,14-19,36-37H2,1-2H3,(H,41,45)(H,42,50)(H,43,46)(H,48,49)(H4,38,39,40)/t23-,24-,25-,26-,27?,34?/m0/s1
PubChem CID	134146201
ChEMBL	CHEMBL3941970
IUPHAR	N/A
BindingDB	50206705
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	6000.0 nM	PMID27842797	BindingDB,ChEMBL
Ki	16000.0 nM	PMID27842797	BindingDB,ChEMBL

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