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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Probable G-protein coupled receptor 88
Species	Homo sapiens (Human)
Gene	GPR88
Synonym	GPR88 STRG striatum-specific G-protein coupled receptor
Disease	N/A
Length	384
Amino acid sequence	MTNSSSTSTSSTTGGSLLLLCEEEESWAGRRIPVSLLYSGLAIGGTLANGMVIYLVSSFRKLQTTSNAFIVNGCAADLSVCALWMPQEAVLGLLPTGSAEPPADWDGAGGSYRLLRGGLLGLGLTVSLLSHCLVALNRYLLITRAPATYQALYQRRHTAGMLALSWALALGLVLLLPPWAPRPGAAPPRVHYPALLAAAALLAQTALLLHCYLGIVRRVRVSVKRVSVLNFHLLHQLPGCAAAAAAFPGAQHAPGPGGAAHPAQAQPLPPALHPRRAQRRLSGLSVLLLCCVFLLATQPLVWVSLASGFSLPVPWGVQAASWLLCCALSALNPLLYTWRNEEFRRSVRSVLPGVGDAAAAAVAATAVPAVSQAQLGTRAAGQHW
UniProt	Q9GZN0
Protein Data Bank	N/A
GPCR-HGmod model	Q9GZN0
3D structure model	This predicted structure model is from GPCR-EXP Q9GZN0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3399910
IUPHAR	123
DrugBank	N/A

Ligand

Name	CHEMBL3403768
Molecular formula	C23H31NO3
IUPAC name	(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
Molecular weight	369.505
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.8
Synonyms	(2S)-N-[(R)-alpha-(Hydroxymethyl)-4-(2-methylpentoxy)benzyl]-2-phenylpropanamide J3.606.995C (2S)-N-((1R)-2-hydroxy-1-(4-(2-methylpentyloxy)phenyl)ethyl)-2-phenylpropanamide SCHEMBL2523748 BDBM50064645 GXJPLTPOMVKXAT-RBENRJQXSA-N [ Show all ]
Inchi Key	GXJPLTPOMVKXAT-RBENRJQXSA-N
Inchi ID	InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1
PubChem CID	51356430
ChEMBL	CHEMBL3403768
IUPHAR	N/A
BindingDB	50064645
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	100.0 nM	None	ChEMBL
EC50	110.0 nM	PMID25690789	BindingDB,ChEMBL
EC50	194.0 nM	PMID27956039	BindingDB,ChEMBL
EC50	194.98 nM	PMID27956039	ChEMBL
EC50	195.0 nM	PMID27956039	BindingDB

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