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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	CHEMBL1766927
Molecular formula	C35H58N12O8
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]propanoic acid
Molecular weight	774.925
Hydrogen bond acceptor	11
Hydrogen bond donor	11
XlogP	-4.2
Synonyms	BDBM50342268 H-Arg-Arg-Pro-Tyr-Ile-Ala-OH
Inchi Key	MUUUGJBYOYXOHN-MTSFBONFSA-N
Inchi ID	InChI=1S/C35H58N12O8/c1-4-19(2)27(31(52)43-20(3)33(54)55)46-29(50)25(18-21-11-13-22(48)14-12-21)45-30(51)26-10-7-17-47(26)32(53)24(9-6-16-42-35(39)40)44-28(49)23(36)8-5-15-41-34(37)38/h11-14,19-20,23-27,48H,4-10,15-18,36H2,1-3H3,(H,43,52)(H,44,49)(H,45,51)(H,46,50)(H,54,55)(H4,37,38,41)(H4,39,40,42)/t19-,20-,23-,24-,25-,26-,27-/m0/s1
PubChem CID	54585989
ChEMBL	CHEMBL1766927
IUPHAR	N/A
BindingDB	50342268
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	1300.0 nM	PMID21446649	BindingDB,ChEMBL

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