Reaction Details Report a problem with these data
Target
Lysophosphatidic acid receptor 1/3
Ligand
BDBM50496697
Substrate
n/a
Meas. Tech.
ChEMBL_1329165 (CHEMBL3225181)
Ki
11±n/a nM
Citation
 East, JE; Carter, KM; Kennedy, PC; Schulte, NA; Toews, ML; Lynch, KR; Macdonald, TL Development of a phosphatase-resistant, L-tyrosine derived LPA1/LPA3 dual antagonist. Medchemcomm 2:325-330 (2011) [PubMed]  Article 
Target
Name:
Lysophosphatidic acid receptor 1/3
Synonyms:
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1329165
Components:
This complex has 2 components.
Component 1
Name:
Lysophosphatidic acid receptor 3
Synonyms:
Edg7 | LPAR3_RAT | Lpa3 | Lpar3 | Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 | Lysophosphatidic acid receptor Edg-7
Type:
PROTEIN
Mol. Mass.:
40307.81
Organism:
Rattus norvegicus
Description:
ChEMBL_329846
Residue:
354
Sequence:
MNECHYDKRMDFFYNRSNTDTADEWTGTKLVIVLCVGTFFCLFIFFSNSLVIAAVITNRKFHFPFYYLLANLAAADFFAGIAYVFLMFNTGPVSKTLTVNRWLLRQGLLDTSLTASLANLLVIAVERHMSIMRMRIHSNLTKKRVTLLILLVWAIAIFMGAVPTLGWNCLCNISACSSLAPIYSRSYLIFWTVSNLLAFFIMVVVYVRIYMYVKRKTNVLSPHTSGSISRRRAPMKLMKTVMTVLGAFVVCWTPGLVVLLLDGLNCKQCNVQHVKRWFLLLALLNSVMNPIIYSYKDEDMYNTMRKMICCAPHDSNAERHPSRIPSTIHSRSDTGSQYLEDSISQGQVCNKSSS
  
Component 2
Name:
Lysophosphatidic acid receptor 1
Synonyms:
Edg2 | Gpcr91 | LPAR1_RAT | Lpa1 | Lpar1 | Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 | Lysophosphatidic acid receptor Edg-2
Type:
PROTEIN
Mol. Mass.:
41130.42
Organism:
Rattus norvegicus
Description:
ChEMBL_329844
Residue:
364
Sequence:
MAAASTSSPVISQPQFTAMNEQQCFYNESIAFFYNRSGKYLATEWNTVSKLVMGLGITVCVFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIDHCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIVCWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRNENPNGPTEGSDRSASSLNHTILAGVHSNDHSVV
  
Inhibitor
Name:
BDBM50496697
Synonyms:
CHEMBL3218460
Type:
Small organic molecule
Emp. Form.:
C34H50F3N2O6P
Mol. Mass.:
670.7396
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)\C=C\P(O)(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: