Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50313345
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±n/a
Temperature
277.15±n/a K
Ki
51±n/a nM
Comments
extracted
Citation
 Bombrun, A; Schwarz, M; Crosignani, S; Covini, D; Marin, D 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis US Patent  US9150519 Publication Date 10/6/2015 
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:
BDBM50313345
Synonyms:
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide | CHEMBL1087911 | US9150519, 1-77
Type:
Small organic molecule
Emp. Form.:
C24H33N5O
Mol. Mass.:
407.5517
SMILES:
CN(C)Cc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: