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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	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	GPR39-C3
Molecular formula	C18H19ClN6O2S
IUPAC name	N-[3-chloro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
Molecular weight	418.9
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.6
Synonyms	AKOS025147352 HY-103007 NCGC00384191-01 1621175-65-2 EX-A1975 ZINC252482983 BCP18836 MolPort-039-052-212 CHEMBL3342358 TC-G 1008 BDBM50030788 N-[3-Chloro-4-[[[2-(methylamino)-6-(2-pyridinyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide CS-7518 TC-G-1008 [ Show all ]
Inchi Key	DRSZMILOMUPIBJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)
PubChem CID	91826086
ChEMBL	CHEMBL3342358
IUPHAR	N/A
BindingDB	50030788
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	0.06 nM	PMID25313322	BindingDB
EC50	0.06 nM	PMID25313322	ChEMBL
EC50	0.8 nM	PMID25313322	BindingDB
EC50	0.8 nM	PMID25313322	ChEMBL
Efficacy	64.0 %	PMID25313322	ChEMBL

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