Reaction Details Report a problem with these data
Target
Sphingosine-1-phosphate lyase 1
Ligand
BDBM313259
Substrate
n/a
Meas. Tech.
S1P1 Binding Assay
IC50
<10±n/a nM
Citation
 Dyckman, AJ; Dhar, TG; Xiao, H; Gilmore, JL; Yang, MG; Xiao, Z; Marcoux, D Substituted bicyclic compounds US Patent  US10166249 Publication Date 1/1/2019 
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:
BDBM313259
Synonyms:
US10166249, Example 493
Type:
Small organic molecule
Emp. Form.:
C24H31ClNO6P
Mol. Mass.:
495.933
SMILES:
COc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1Cl |r|
Structure:
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