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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	CHEMBL337644
Molecular formula	C39H66N10O8
IUPAC name	(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2,7-diaminoheptanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight	803.019
Hydrogen bond acceptor	12
Hydrogen bond donor	10
XlogP	-0.7
Synonyms	BDBM50133206 Compound KK1
Inchi Key	OKIJEOJBCCXHLH-VDXNIVNJSA-N
Inchi ID	InChI=1S/C39H66N10O8/c1-5-24(4)32(36(54)46-30(38(56)57)21-23(2)3)47-34(52)29(22-25-14-16-26(50)17-15-25)45-35(53)31-13-10-20-49(31)37(55)28(42)12-9-19-44-39(43)48-33(51)27(41)11-7-6-8-18-40/h14-17,23-24,27-32,50H,5-13,18-22,40-42H2,1-4H3,(H,45,53)(H,46,54)(H,47,52)(H,56,57)(H3,43,44,48,51)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID	44354075
ChEMBL	CHEMBL337644
IUPHAR	N/A
BindingDB	50133206
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
IC50	0.7 nM	PMID12954066	BindingDB,ChEMBL

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