Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50420172
Substrate
n/a
Meas. Tech.
ChEMBL_834831 (CHEMBL2073148)
EC50
19953±n/a nM
Citation
 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. J Med Chem 55:5311-25 (2012) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
CHEDG1 | EDG1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor | S1P1 | S1PR1 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1) | Sphingosine 1-phosphate receptor Edg-1
Type:
Enzyme
Mol. Mass.:
42836.02
Organism:
Homo sapiens (Human)
Description:
P21453
Residue:
382
Sequence:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50420172
Synonyms:
CHEMBL2070836
Type:
Small organic molecule
Emp. Form.:
C21H20N4OS
Mol. Mass.:
376.475
SMILES:
O=C(Nc1nc2ccc(cc2s1)-c1nc2ccccc2[nH]1)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: