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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 | CHEMBL483303 |
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Molecular formula | C17H16O5S |
IUPAC name | 4-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid |
Molecular weight | 332.37 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | NSC-18749 4-(4-(ethoxycarbonyl)styryl)benzenesulfonic acid ZINC1561848 AC1NV8TC 4-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid [ Show all ] |
Inchi Key | NRRCVYNRSGAPOK-ONEGZZNKSA-N |
Inchi ID | InChI=1S/C17H16O5S/c1-2-22-17(18)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)23(19,20)21/h3-12H,2H2,1H3,(H,19,20,21)/b4-3+ |
PubChem CID | 5473680 |
ChEMBL | CHEMBL483303 |
IUPHAR | N/A |
BindingDB | 50271700 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <12300.0 nM | PMID18467108 | BindingDB,ChEMBL |
Emax | 180.0 % | PMID18467108 | ChEMBL |
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