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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	CHEMBL3342375
Molecular formula	C18H19N5O2S
IUPAC name	2-N-methyl-4-N-[(4-methylsulfonylphenyl)methyl]-6-pyridin-2-ylpyrimidine-2,4-diamine
Molecular weight	369.443
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.2
Synonyms	BDBM50030778
Inchi Key	CGYLEMNSAPBBNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N5O2S/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)26(2,24)25/h3-11H,12H2,1-2H3,(H2,19,21,22,23)
PubChem CID	118716416
ChEMBL	CHEMBL3342375
IUPHAR	N/A
BindingDB	50030778
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	36.0 nM	PMID25313322	BindingDB,ChEMBL

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