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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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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	CHEMBL3342370
Molecular formula	C17H15Cl2N5
IUPAC name	4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
Molecular weight	360.242
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.2
Synonyms	GTPL7803 4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine BDBM50030783 compound 15 [PMID: 25313322] D0V6KN
Inchi Key	HOVRMCPKCWLHJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H15Cl2N5/c1-20-17-23-15(14-4-2-3-7-21-14)9-16(24-17)22-10-11-5-6-12(18)8-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23,24)
PubChem CID	86277841
ChEMBL	CHEMBL3342370
IUPHAR	7803
BindingDB	50030783
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	0.8 nM	PMID25313322	IUPHAR
EC50	0.8 nM	PMID25313322	ChEMBL
EC50	0.8 nM	PMID25313322	BindingDB

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