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Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50380409
Substrate
n/a
Meas. Tech.
ChEMBL_813022 (CHEMBL2020534)
IC50
96±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:
BDBM50380409
Synonyms:
CHEMBL2016597
Type:
Small organic molecule
Emp. Form.:
C27H25ClN4O4
Mol. Mass.:
504.965
SMILES:
Clc1cccc(Oc2ccc(NC(=O)[C@H](COCc3ccccc3)NC(=O)Cc3cnc[nH]3)cc2)c1 |r|
Structure:
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