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Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50380419
Substrate
n/a
Meas. Tech.
ChEMBL_813022 (CHEMBL2020534)
IC50
718±n/a nM
Citation
 Ibrahim, MA; Johnson, HW; Jeong, JW; Lewis, GL; Shi, X; Noguchi, RT; Williams, M; Leahy, JW; Nuss, JM; Woolfrey, J; Banica, M; Bentzien, F; Chou, YC; Gibson, A; Heald, N; Lamb, P; Mattheakis, L; Matthews, D; Shipway, A; Wu, X; Zhang, W; Zhou, S; Shankar, G Discovery of a novel class of potent and orally bioavailable sphingosine 1-phosphate receptor 1 antagonists. J Med Chem 55:1368-81 (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:
BDBM50380419
Synonyms:
CHEMBL2018454
Type:
Small organic molecule
Emp. Form.:
C32H31N3O5
Mol. Mass.:
537.6056
SMILES:
CN(CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
Structure:
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