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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3342377
Molecular formula	C19H20N6O
IUPAC name	N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
Molecular weight	348.41
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.1
Synonyms	BDBM50030776
Inchi Key	GORJAELYTTWWQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)
PubChem CID	118716418
ChEMBL	CHEMBL3342377
IUPHAR	N/A
BindingDB	50030776
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	0.55 nM	PMID25313322	ChEMBL
EC50	0.55 nM	PMID25313322	BindingDB
EC50	5.0 nM	PMID25313322	BindingDB
EC50	5.0 nM	PMID25313322	ChEMBL
Efficacy	48.0 %	PMID25313322	ChEMBL

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