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GLASS

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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	CHEMBL3971946
Molecular formula	C36H58N12O9
IUPAC name	(2S)-2-[[2-[[(2S,3R)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-hydroxyphenyl)oxolane-3-carbonyl]amino]acetyl]amino]-4-methylpentanoic acid
Molecular weight	802.935
Hydrogen bond acceptor	12
Hydrogen bond donor	11
XlogP	-4.8
Synonyms	BDBM50206702
Inchi Key	ITDNHCVOGVXTKF-SATRMGJLSA-N
Inchi ID	InChI=1S/C36H58N12O9/c1-20(2)18-25(32(54)55)45-27(50)19-44-33(56)36(13-17-57-28(36)21-9-11-22(49)12-10-21)47-30(52)26-8-5-16-48(26)31(53)24(7-4-15-43-35(40)41)46-29(51)23(37)6-3-14-42-34(38)39/h9-12,20,23-26,28,49H,3-8,13-19,37H2,1-2H3,(H,44,56)(H,45,50)(H,46,51)(H,47,52)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t23-,24-,25-,26-,28-,36+/m0/s1
PubChem CID	134153118
ChEMBL	CHEMBL3971946
IUPHAR	N/A
BindingDB	50206702
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
Ki	29.0 nM	PMID27842797	BindingDB,ChEMBL

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