Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM22201
Substrate
n/a
Meas. Tech.
ChEMBL_701954 (CHEMBL1657526)
IC50
>10±n/a nM
Citation
 Saha, AK; Yu, X; Lin, J; Lobera, M; Sharadendu, A; Chereku, S; Schutz, N; Segal, D; Marantz, Y; McCauley, D; Middleton, S; Siu, J; Börli, RW; Buys, J; Horner, M; Salyers, K; Schrag, M; Vargas, HM; Xu, Y; McElvain, M Benzofuran Derivatives as Potent, Orally Active S1P1 Receptor Agonists: A Preclinical Lead Molecule for MS ACS Med Chem Lett 2:97-101 (2011) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 3
Synonyms:
C9orf108 | C9orf47 | EDG3 | Endothelial differentiation G-protein coupled receptor 3 | S1P receptor 3 | S1P receptor Edg-3 | S1P3 | S1PR3 | S1PR3_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor 3 (S1P3) | Sphingosine 1-phosphate receptor Edg-3
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42278.13
Organism:
Homo sapiens (Human)
Description:
Q99500
Residue:
378
Sequence:
MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
  
Inhibitor
Name:
BDBM22201
Synonyms:
1,3,4-oxadiazole based compound, 9 | 1-({4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)azetidine-3-carboxylic acid | 1-{4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzyl}azetidine-3-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C23H25N3O3
Mol. Mass.:
391.4629
SMILES:
CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Structure:
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