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Target
Sphingosine-1-phosphate lyase 1
Ligand
BDBM50158336
Substrate
n/a
Meas. Tech.
ChEMBL_1361382 (CHEMBL3293781)
IC50
17000±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:
BDBM50158336
Synonyms:
2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol | 2-amino-2-(4-octylphenethyl)propane-1,3-diol | 2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol | CHEMBL314854 | FINGOLIMOD | FINGOLIMOD HYDROCHLORIDE
Type:
Small organic molecule
Emp. Form.:
C19H33NO2
Mol. Mass.:
307.4708
SMILES:
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Structure:
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