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GLASS

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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	Ki16425
Molecular formula	C23H23ClN2O5S
IUPAC name	3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
Molecular weight	474.956
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.5
Synonyms	AOB33750 CHEMBL361501 HMS3654H15 MLS006010196 SCHEMBL3841276 3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-benzylsulfanyl)-propionic acid 4CA-0694 BCP9000813 DTXSID90438772 Ki 16425 NCGC00165816-02 W-5340 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid AB0035833 AKOS015842002 CHEBI:91194 FT-0705425 SB19554 3-(4-[4-([1-(2-chlorophenyl)ethoxy]carbonylamino)-3-methyl-5-isoxazolyl]benzylthio) propanoic acid 3-[[[4-[4-[[[1-(2-Chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]propanoic acid AS-16643 CS-0510 HY-13285 MolPort-009-019-392 SMR004701298 3-({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoic acid ABP000482 BDBM50170859 EX-5959 Ki-16425 RTX-011121 Y0241 3-((4-(4-(((1-(2-Chlorophenyl)ethoxy)carbonyl)amino)-3-methylisoxazol-5-yl)benzyl)thio)propanoic acid 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-isoxazol-5-yl]phenyl]methylsulfanyl]propanoic acid AN-531 GTPL2907 KS-0000182E SC-49718 3-(4-[4-([1-(2-Chlorophenyl)ethoxy]carbonylamino)-3-methyl-5-isoxazolyl]benzylthio)propanoic acid 355025-24-0 BCP01848 CTK8F0787 KB-53039 NCGC00165816-01 SW219841-1 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid A822840 AK-43274 BRD-A25569250-001-01-7 EX-A2249 Ki-16425, 355025-24-0 s1315 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonylamino)-3-methylisoxazol-5-yl)benzylthio)propanoic acid 3-[[4-[4-[[1-(2-chlorophenyl)ethoxy-oxomethyl]amino]-3-methyl-5-isoxazolyl]phenyl]methylthio]propanoic acid [ Show all ]
Inchi Key	LLIFMNUXGDHTRO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
PubChem CID	10367662
ChEMBL	CHEMBL361501
IUPHAR	2907
BindingDB	50170859
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	301.0 nM	PMID16033271	BindingDB,ChEMBL
Ki	148.0 nM	PMID16033271	BindingDB,ChEMBL
Ki	360.0 nM	PMID14500756	IUPHAR
Ki	363.078 nM	PMID14500756	IUPHAR

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