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GLASS

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GPCR

Name	Lysophosphatidic acid receptor 2
Species	Homo sapiens (Human)
Gene	LPAR2
Synonym	endothelial differentiation gene 4, lysophosphatidic acid G-protein-coupled receptor 4 LPA receptor 2 LPA-2 Edg4 Lysophosphatidic acid receptor Edg-4 Pbx4 pre-B-cell leukemia transcription factor 4 LPA2 receptor [ Show all ]
Disease	N/A
Length	351
Amino acid sequence	MVIMGQCYYNETIGFFYNNSGKELSSHWRPKDVVVVALGLTVSVLVLLTNLLVIAAIASNRRFHQPIYYLLGNLAAADLFAGVAYLFLMFHTGPRTARLSLEGWFLRQGLLDTSLTASVATLLAIAVERHRSVMAVQLHSRLPRGRVVMLIVGVWVAALGLGLLPAHSWHCLCALDRCSRMAPLLSRSYLAVWALSSLLVFLLMVAVYTRIFFYVRRRVQRMAEHVSCHPRYRETTLSLVKTVVIILGAFVVCWTPGQVVLLLDGLGCESCNVLAVEKYFLLLAEANSLVNAAVYSCRDAEMRRTFRRLLCCACLRQSTRESVHYTSSAQGGASTRIMLPENGHPLMDSTL
UniProt	Q9HBW0
Protein Data Bank	N/A
GPCR-HGmod model	Q9HBW0
3D structure model	This predicted structure model is from GPCR-EXP Q9HBW0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3724
IUPHAR	273
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	3-({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoic acid AS-16643 CS-0510 HY-13285 MolPort-009-019-392 SMR004701298 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 ABP000482 BDBM50170859 EX-5959 Ki-16425 RTX-011121 Y0241 3-(4-[4-([1-(2-Chlorophenyl)ethoxy]carbonylamino)-3-methyl-5-isoxazolyl]benzylthio)propanoic acid 355025-24-0 AN-531 GTPL2907 KS-0000182E SC-49718 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid A822840 BCP01848 CTK8F0787 KB-53039 NCGC00165816-01 SW219841-1 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 AK-43274 BRD-A25569250-001-01-7 EX-A2249 Ki-16425, 355025-24-0 s1315 3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-benzylsulfanyl)-propionic acid 4CA-0694 AOB33750 CHEMBL361501 HMS3654H15 MLS006010196 SCHEMBL3841276 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid AB0035833 BCP9000813 DTXSID90438772 Ki 16425 NCGC00165816-02 W-5340 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 AKOS015842002 CHEBI:91194 FT-0705425 SB19554 [ 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
Ki	5623.41 nM	PMID14500756	IUPHAR

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