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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	G-protein coupled receptor 39
Species	Homo sapiens (Human)
Gene	GPR39
Synonym	GPR39
Disease	Diabetes
Length	453
Amino acid sequence	MASPSLPGSDCSQIIDHSHVPEFEVATWIKITLILVYLIIFVMGLLGNSATIRVTQVLQKKGYLQKEVTDHMVSLACSDILVFLIGMPMEFYSIIWNPLTTSSYTLSCKLHTFLFEACSYATLLHVLTLSFERYIAICHPFRYKAVSGPCQVKLLIGFVWVTSALVALPLLFAMGTEYPLVNVPSHRGLTCNRSSTRHHEQPETSNMSICTNLSSRWTVFQSSIFGAFVVYLVVLLSVAFMCWNMMQVLMKSQKGSLAGGTRPPQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQIRRIMAAAKPKHDWTRSYFRAYMILLPFSETFFYLSSVINPLLYTVSSQQFRRVFVQVLCCRLSLQHANHEKRLRVHAHSTTDSARFVQRPLLFASRRQSSARRTEKIFLSTFQSEAEPQSKSQSLSLESLEPNSGAKPANSAAENGFQEHEV
UniProt	O43194
Protein Data Bank	N/A
GPCR-HGmod model	O43194
3D structure model	This predicted structure model is from GPCR-EXP O43194.
BioLiP	N/A
Therapeutic Target Database	T88531
ChEMBL	CHEMBL3091266
IUPHAR	105
DrugBank	N/A

Ligand

Name	CHEMBL3342376
Molecular formula	C18H20N6O2S
IUPAC name	N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
Molecular weight	384.458
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50030777
Inchi Key	YPAGKZRGNWDPCR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N6O2S/c1-19-18-22-16(15-5-3-4-10-20-15)11-17(23-18)21-12-13-6-8-14(9-7-13)24-27(2,25)26/h3-11,24H,12H2,1-2H3,(H2,19,21,22,23)
PubChem CID	118716417
ChEMBL	CHEMBL3342376
IUPHAR	N/A
BindingDB	50030777
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	0.18 nM	PMID25313322	BindingDB
EC50	0.18 nM	PMID25313322	ChEMBL
EC50	3.0 nM	PMID25313322	ChEMBL
EC50	3.0 nM	PMID25313322	BindingDB
Efficacy	55.0 %	PMID25313322	ChEMBL

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