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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	CHEMBL3092412
Molecular formula	C28H33N3O2
IUPAC name	(3S,4R)-4-(3-methoxyphenyl)-1-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
Molecular weight	443.591
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50443619
Inchi Key	BHJGJZILMGKCDE-RRPNLBNLSA-N
Inchi ID	InChI=1S/C28H33N3O2/c1-33-25-12-7-10-23(20-25)26-15-19-31(18-14-22-8-3-2-4-9-22)21-27(26)28(32)30-17-13-24-11-5-6-16-29-24/h2-12,16,20,26-27H,13-15,17-19,21H2,1H3,(H,30,32)/t26-,27+/m0/s1
PubChem CID	76317176
ChEMBL	CHEMBL3092412
IUPHAR	N/A
BindingDB	50443619
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	3100.0 nM	PMID24900608	BindingDB,ChEMBL
EC50	4500.0 nM	PMID24900608	BindingDB,ChEMBL
Efficacy	82.0 %	PMID24900608	ChEMBL
Efficacy	107.0 %	PMID24900608	ChEMBL

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