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Target
Sphingosine-1-phosphate lyase 1
Ligand
BDBM50018271
Substrate
n/a
Meas. Tech.
ChEMBL_1361382 (CHEMBL3293781)
IC50
3400±n/a nM
Citation
 Weiler, S; Braendlin, N; Beerli, C; Bergsdorf, C; Schubart, A; Srinivas, H; Oberhauser, B; Billich, A Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis. J Med Chem 57:5074-84 (2014) [PubMed]  Article 
Target
Name:
Sphingosine-1-phosphate lyase 1
Synonyms:
KIAA1252 | S1PL | SGPL1 | SGPL1_HUMAN | SP-lyase 1 | SPL 1 | Sphingosine-1-phosphate aldolase | hSPL
Type:
PROTEIN
Mol. Mass.:
63546.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108363
Residue:
568
Sequence:
MPSTDLLMLKAFEPYLEILEVYSTKAKNYVNGHCTKYEPWQLIAWSVVWTLLIVWGYEFVFQPESLWSRFKKKCFKLTRKMPIIGRKIQDKLNKTKDDISKNMSFLKVDKEYVKALPSQGLSSSAVLEKLKEYSSMDAFWQEGRASGTVYSGEEKLTELLVKAYGDFAWSNPLHPDIFPGLRKIEAEIVRIACSLFNGGPDSCGCVTSGGTESILMACKAYRDLAFEKGIKTPEIVAPQSAHAAFNKAASYFGMKIVRVPLTKMMEVDVRAMRRAISRNTAMLVCSTPQFPHGVIDPVPEVAKLAVKYKIPLHVDACLGGFLIVFMEKAGYPLEHPFDFRVKGVTSISADTHKYGYAPKGSSLVLYSDKKYRNYQFFVDTDWQGGIYASPTIAGSRPGGISAACWAALMHFGENGYVEATKQIIKTARFLKSELENIKGIFVFGNPQLSVIALGSRDFDIYRLSNLMTAKGWNLNQLQFPPSIHFCITLLHARKRVAIQFLKDIRESVTQIMKNPKAKTTGMGAIYGMAQTTVDRNMVAELSSVFLDSLYSTDTVTQGSQMNGSPKPH
  
Inhibitor
Name:
BDBM50018271
Synonyms:
CHEMBL3290320
Type:
Small organic molecule
Emp. Form.:
C28H29N5O2
Mol. Mass.:
467.5622
SMILES:
CCOC(=O)c1ccc(nc1)N1CCN(C[C@H]1C)c1nnc(Cc2ccccc2)c2ccccc12 |r|
Structure:
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