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Target
Sphingosine-1-phosphate lyase 1
Ligand
BDBM50500984
Substrate
n/a
Meas. Tech.
ChEMBL_1575591 (CHEMBL3803908)
IC50
1000±n/a nM
Citation
 Dinges, J; Harris, CM; Wallace, GA; Argiriadi, MA; Queeney, KL; Perron, DC; Dominguez, E; Kebede, T; Desino, KE; Patel, H; Vasudevan, A Hit-to-lead evaluation of a novel class of sphingosine 1-phosphate lyase inhibitors. Bioorg Med Chem Lett 26:2297-302 (2016) [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:
BDBM50500984
Synonyms:
CHEMBL3799908
Type:
Small organic molecule
Emp. Form.:
C23H27N3O3
Mol. Mass.:
393.4788
SMILES:
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C
Structure:
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