Reaction Details Report a problem with these data
Target
Lysophosphatidic acid receptor 1
Ligand
BDBM251722
Substrate
n/a
Meas. Tech.
Receptor Assay
Temperature
310.15±n/a K
IC50
17±n/a nM
Comments
extracted
Citation
 Buffham, W; Canning, H; Davenport, R; Farnaby, W; Mack, S; Parmar, A; Wright, S Compounds US Patent  US9464060 Publication Date 10/11/2016 
Target
Name:
Lysophosphatidic acid receptor 1
Synonyms:
EDG2 | LPA receptor 1 | LPA-1 | LPA1 | LPAR1 | LPAR1_HUMAN | Lysophosphatidic acid receptor 1 (LPA1) | Lysophosphatidic acid receptor Edg-2
Type:
Enzyme
Mol. Mass.:
41120.55
Organism:
Homo sapiens (Human)
Description:
Q92633
Residue:
364
Sequence:
MAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
  
Inhibitor
Name:
BDBM251722
Synonyms:
US9464060, 58
Type:
Small organic molecule
Emp. Form.:
C31H34FNO5
Mol. Mass.:
519.6038
SMILES:
COc1ccccc1O[C@H]1CC[C@@H](CC1)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(cc1)C(O)=O |r,wU:12.16,wD:9.9,(-8.67,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-6,-.77,;-6,-2.31,;-4.67,-3.08,;-3.33,-2.31,;-2,-3.08,;-.67,-2.31,;-.67,-.77,;-2,,;-3.33,-.77,;.67,,;.67,1.54,;2,-.77,;3.33,,;3.33,1.54,;4.67,2.31,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;6,6.16,;7.34,6.93,;6,4.62,;2,-2.31,;3.33,-3.08,;3.33,-4.62,;4.67,-5.39,;6,-4.62,;6,-3.08,;4.67,-2.31,;7.34,-5.39,;7.34,-6.93,;8.67,-4.62,)|
Structure:
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