Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 2
Ligand
BDBM149705
Substrate
n/a
Meas. Tech.
ChEMBL_1518045 (CHEMBL3619046)
IC50
3.3±n/a nM
Citation
 Kusumi, K; Shinozaki, K; Yamaura, Y; Hashimoto, A; Kurata, H; Naganawa, A; Ueda, H; Otsuki, K; Matsushita, T; Sekiguchi, T; Kakuuchi, A; Seko, T Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives. Bioorg Med Chem Lett 25:4387-92 (2015) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 2
Synonyms:
Edg5 | S1PR2_RAT | S1pr2 | Sphingosine 1-phosphate receptor 2 (S1P2)
Type:
Protein
Mol. Mass.:
38749.58
Organism:
Rattus norvegicus (Rat)
Description:
P47752
Residue:
352
Sequence:
MGGLYSEYLNPEKVQEHYNYTKETLDMQETPSRKVASAFIIILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFVANTLLSGPVTLSLTPLQWFAREGSAFITLSASVFSLLAIAIERQVAIAKVKLYGSDKSCRMLMLIGASWLISLILGGLPILGWNCLDHLEACSTVLPLYAKHYVLCVVTIFSVILLAIVALYVRIYFVVRSSHADVAGPQTLALLKTVTIVLGVFIICWLPAFSILLLDSTCPVRACPVLYKAHYFFAFATLNSLLNPVIYTWRSRDLRREVLRPLLCWRQGKGATGRRGGNPGHRLLPLRSSSSLERGLHMPTSPTFLEGNTVV
  
Inhibitor
Name:
BDBM149705
Synonyms:
US8975409, Example 9(3)
Type:
Small organic molecule
Emp. Form.:
C31H26F2N2O6
Mol. Mass.:
560.5447
SMILES:
OC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC3)c3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)cc1
Structure:
Search PDB for entries with ligand similarity: