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Name | Lysophosphatidic acid receptor 1 |
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Species | Homo sapiens (Human) |
Gene | LPAR1 |
Synonym | lysophosphatidic acid receptor Edg-2 Lpar1 LPA1 receptor Lysophosphatidic acid receptor Edg-2 {ECO:0000303|PubMed:9070858} LPA-1 [ Show all ] |
Disease | Idiopathic pulmonary fibrosis |
Length | 364 |
Amino acid sequence | MAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV |
UniProt | Q92633 |
Protein Data Bank | 4z36, 4z35, 4z34 |
GPCR-HGmod model | Q92633 |
3D structure model | This structure is from PDB ID 4z36. |
BioLiP | BL0315557, BL0315553, BL0315554, BL0315555, BL0315556, BL0315558 |
Therapeutic Target Database | T92640 |
ChEMBL | CHEMBL3819 |
IUPHAR | 272 |
DrugBank | N/A |
Name | CHEMBL246943 |
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Molecular formula | C22H25ClN2O5S |
IUPAC name | 3-[[4-[4-[1-(2-chlorocyclohexen-1-yl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoic acid |
Molecular weight | 464.961 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | BDBM50211647 SCHEMBL4024814 3-(4-(4-((1-(2-chlorocyclohex-1-enyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid |
Inchi Key | RXDYETAEWGWCSO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H25ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27) |
PubChem CID | 11305821 |
ChEMBL | CHEMBL246943 |
IUPHAR | N/A |
BindingDB | 50211647 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 170.0 nM | PMID17467986 | BindingDB,ChEMBL |
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