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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 | CHEMBL3935056 |
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Molecular formula | C23H23N3O5 |
IUPAC name | 4-[[[5-(2-methoxyphenoxy)pyrimidine-2-carbonyl]-propylamino]methyl]benzoic acid |
Molecular weight | 421.453 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | US9464060, 85 BDBM251749 SCHEMBL16507099 |
Inchi Key | WBAUSFZQQFMBCS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H23N3O5/c1-3-12-26(15-16-8-10-17(11-9-16)23(28)29)22(27)21-24-13-18(14-25-21)31-20-7-5-4-6-19(20)30-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,28,29) |
PubChem CID | 117903392 |
ChEMBL | CHEMBL3935056 |
IUPHAR | N/A |
BindingDB | 251749 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 180.0 nM | , None | BindingDB,ChEMBL |
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