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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	CHEMBL3092410
Molecular formula	C23H26ClN5O
IUPAC name	(3S,4R)-N-[(2-chlorophenyl)methyl]-1-[(2-ethyl-1H-imidazol-5-yl)methyl]-4-pyridin-3-ylpyrrolidine-3-carboxamide
Molecular weight	423.945
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.6
Synonyms	BDBM50443617
Inchi Key	XZMDNRBQKUIHKB-VQTJNVASSA-N
Inchi ID	InChI=1S/C23H26ClN5O/c1-2-22-26-12-18(28-22)13-29-14-19(16-7-5-9-25-10-16)20(15-29)23(30)27-11-17-6-3-4-8-21(17)24/h3-10,12,19-20H,2,11,13-15H2,1H3,(H,26,28)(H,27,30)/t19-,20+/m0/s1
PubChem CID	76313672
ChEMBL	CHEMBL3092410
IUPHAR	N/A
BindingDB	50443617
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	190.0 nM	PMID24900608	BindingDB,ChEMBL
EC50	840.0 nM	PMID24900608	BindingDB,ChEMBL
Efficacy	74.0 %	PMID24900608	ChEMBL
Efficacy	99.0 %	PMID24900608	ChEMBL

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