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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	Lysophosphatidic acid receptor 3
Species	Homo sapiens (Human)
Gene	LPAR3
Synonym	Lysophosphatidic acid receptor Edg-7 LPA3 receptor LPA-3 LPA receptor 3 endothelial differentiation gene 7, lysophosphatidic acid G-protein-coupled receptor 7 Edg7 [ Show all ]
Disease	Fibrosis
Length	353
Amino acid sequence	MNECHYDKHMDFFYNRSNTDTVDDWTGTKLVIVLCVGTFFCLFIFFSNSLVIAAVIKNRKFHFPFYYLLANLAAADFFAGIAYVFLMFNTGPVSKTLTVNRWFLRQGLLDSSLTASLTNLLVIAVERHMSIMRMRVHSNLTKKRVTLLILLVWAIAIFMGAVPTLGWNCLCNISACSSLAPIYSRSYLVFWTVSNLMAFLIMVVVYLRIYVYVKRKTNVLSPHTSGSISRRRTPMKLMKTVMTVLGAFVVCWTPGLVVLLLDGLNCRQCGVQHVKRWFLLLALLNSVVNPIIYSYKDEDMYGTMKKMICCFSQENPERRPSRIPSTVLSRSDTGSQYIEDSISQGAVCNKSTS
UniProt	Q9UBY5
Protein Data Bank	N/A
GPCR-HGmod model	Q9UBY5
3D structure model	This predicted structure model is from GPCR-EXP Q9UBY5.
BioLiP	N/A
Therapeutic Target Database	T95923
ChEMBL	CHEMBL3250
IUPHAR	274
DrugBank	N/A

Ligand

Name	325850-81-5
Molecular formula	C22H17NO4S
IUPAC name	2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
Molecular weight	391.441
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	GRI 977143 SR-01000505193-1 2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio}benzoic acid BAS 00666317 CCG-21963 M3L07R4ZEP SYN5176 2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid AC1MJMO4 CHEMBL3322500 SCHEMBL15490694 2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid AOB1269 GRI-977143 ST50507421 2-((3-(1,3-Dioxo-(1H)benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic Acid BDBM50056345 CHEBI:139224 MCULE-6167327821 UNII-M3L07R4ZEP 2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid AJ-47854 F0223-0003 SR-01000505193 2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}benzoic acid AS-16536 KB-272638 STK806571 2-((3-(1,3-Dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)benzoic acid Benzoic acid, 2-((3-(1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)- MolPort-000-691-587 ZINC4070868 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid AKOS000522976 [ Show all ]
Inchi Key	GMVZUCHUOYUMLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
PubChem CID	3114900
ChEMBL	CHEMBL3322500
IUPHAR	N/A
BindingDB	50056345
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6600.0 nM	PMID25100502	BindingDB,ChEMBL

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