Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50313357
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±n/a
Temperature
277.15±n/a K
Ki
2±n/a nM
Comments
extracted
Citation
 Bombrun, ASchwarz, MCrosignani, SCovini, DMarin, 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:
BDBM50313357
Synonyms:
3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)propanoic acid | CHEMBL1082869 | US9150519, 1-62
Type:
Small organic molecule
Emp. Form.:
C25H33N5O5S
Mol. Mass.:
515.625
SMILES:
Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(O)=O
Structure:
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