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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Probable G-protein coupled receptor 139
Species	Homo sapiens (Human)
Gene	GPR139
Synonym	G(q)-coupled orphan receptor GPRg1 G-protein-coupled receptor PGR3 GPR139 GPRG1
Disease	N/A
Length	353
Amino acid sequence	MEHTHAHLAANSSLSWWSPGSACGLGFVPVVYYSLLLCLGLPANILTVIILSQLVARRQKSSYNYLLALAAADILVLFFIVFVDFLLEDFILNMQMPQVPDKIIEVLEFSSIHTSIWITVPLTIDRYIAVCHPLKYHTVSYPARTRKVIVSVYITCFLTSIPYYWWPNIWTEDYISTSVHHVLIWIHCFTVYLVPCSIFFILNSIIVYKLRRKSNFRLRGYSTGKTTAILFTITSIFATLWAPRIIMILYHLYGAPIQNRWLVHIMSDIANMLALLNTAINFFLYCFISKRFRTMAAATLKAFFKCQKQPVQFYTNHNFSITSSPWISPANSHCIKMLVYQYDKNGKPIKVSP
UniProt	Q6DWJ6
Protein Data Bank	N/A
GPCR-HGmod model	Q6DWJ6
3D structure model	This predicted structure model is from GPCR-EXP Q6DWJ6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3632455
IUPHAR	130
DrugBank	N/A

Ligand

Name	N-(4-chlorophenethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide
Molecular formula	C17H15ClN4O2
IUPAC name	N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Molecular weight	342.783
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	GASJSONKGOIOOV-UHFFFAOYSA-N SR-01000565266 440332-02-5 Z26148559 BDBM263505 Oprea1_244855 MCULE-4102069723 SR-01000565266-1 AC1MB2MG N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide ZINC3579170 F0916-6886 SCHEMBL17766917 MolPort-004-604-142 US9556130, test 74 AKOS001413842 N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamide [ Show all ]
Inchi Key	GASJSONKGOIOOV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H15ClN4O2/c18-13-7-5-12(6-8-13)9-10-19-16(23)11-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2,(H,19,23)
PubChem CID	2695546
ChEMBL	N/A
IUPHAR	N/A
BindingDB	263505
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1236.0 nM	N/A	BindingDB

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