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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	Mus musculus (Mouse)
Gene	Gpr39
Synonym	GPR39
Disease	N/A for non-human GPCRs
Length	456
Amino acid sequence	MASSSGSNHICSRVIDHSHVPEFEVATWIKITLILVYLIIFVVGILGNSVTIRVTQVLQKKGYLQKEVTDHMVSLACSDILVFLIGMPMEFYSIIWNPLTTPSYALSCKLHTFLFETCSYATLLHVLTLSFERYIAICHPFKYKAVSGPRQVKLLIGFVWVTSALVALPLLFAMGIEYPLVNVPTHKGLNCNLSRTRHHDEPGNSNMSICTNLSNRWEVFQSSIFGAFAVYLVVLASVAFMCWNMMKVLMKSKQGTLAGTGPQLQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQIRRIMAAAKPKHDWTRTYFRAYMILLPFSDTFFYLSSVVNPLLYNVSSQQFRKVFWQVLCCRLTLQHANQEKRQRARFISTKDSTSSARSPLIFLASRRSNSSSRRTNKVFLSTFQTEAKPGEAKPQPLSPESPQTGSETKPAGSTTENSLQEQEV
UniProt	Q5U431
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3341584
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3342362
Molecular formula	C21H20F3N5O
IUPAC name	4-N-(cyclopropylmethyl)-6-pyridin-2-yl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular weight	415.42
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50030770
Inchi Key	INMKYWPKBFAKSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20F3N5O/c22-21(23,24)30-16-8-6-15(7-9-16)13-27-20-28-18(17-3-1-2-10-25-17)11-19(29-20)26-12-14-4-5-14/h1-3,6-11,14H,4-5,12-13H2,(H2,26,27,28,29)
PubChem CID	118716405
ChEMBL	CHEMBL3342362
IUPHAR	N/A
BindingDB	50030770
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	22.0 nM	PMID25313322	BindingDB,ChEMBL

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