Reaction Details  Report a problem with these data
Target
Lysophosphatidic acid receptor 1
Ligand
BDBM654140
Substrate
n/a
Meas. Tech.
Calcium Mobilization Assay
EC50
11.2±n/a nM
Citation
 Bestvater, BP; Farand, J; Tang, DT; Yang, KS LPA receptor antagonists and uses thereof US Patent  US11912686 Publication Date 2/27/2024
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:
BDBM654140
Synonyms:
US11912686, Compound 85
Type:
Small organic molecule
Emp. Form.:
C23H22ClF2N7O3
Mol. Mass.:
517.916
SMILES:
C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(NC(=O)[C@H]2C[C@@]3(CC3(F)F)C2)cn1)c1cccnc1Cl |r,wU:1.0,19.19,21.22,(.41,-5.78,;1.18,-4.44,;.41,-3.11,;-1.13,-3.11,;-1.9,-4.44,;-1.9,-1.78,;-3.44,-1.78,;-4.34,-.53,;-5.8,-1.01,;-5.8,-2.55,;-4.34,-3.02,;-3.86,-4.49,;-3.86,.93,;-2.36,1.25,;-1.88,2.72,;-2.91,3.86,;-2.44,5.33,;-.93,5.65,;-.45,7.11,;.1,4.5,;1.64,4.42,;1.56,2.88,;1.96,1.4,;3.04,2.49,;4.38,1.72,;3.81,3.82,;.02,2.97,;-4.42,3.54,;-4.89,2.08,;2.72,-4.44,;3.49,-3.11,;5.03,-3.11,;5.8,-4.44,;5.03,-5.78,;3.49,-5.78,;2.72,-7.11,)|
Structure:
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