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Target
Tyrosine-protein phosphatase non-receptor type 9
Ligand
BDBM50031906
Substrate
n/a
Meas. Tech.
ChEMBL_1437903 (CHEMBL3384867)
IC50
10700±n/a nM
Citation
 Hou, X; Li, R; Li, K; Yu, X; Sun, JP; Fang, H Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening. J Med Chem 57:9309-22 (2014) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 9
Synonyms:
3.1.3.48 | PTN9_HUMAN | PTP-MEG2 | PTPN9 | PTPase MEG2 | Protein-tyrosine phosphatase MEG2 | Protein-tyrosine phosphatase MEG2 (PTP-Meg2) | Tyrosine-protein phosphatase non-receptor type 9
Type:
n/a
Mol. Mass.:
68030.33
Organism:
Homo sapiens (Human)
Description:
P43378
Residue:
593
Sequence:
MEPATAPRPDMAPELTPEEEQATKQFLEEINKWTVQYNVSPLSWNVAVKFLMARKFDVLRAIELFHSYRETRRKEGIVKLKPHEEPLRSEILSGKFTILNVRDPTGASIALFTARLHHPHKSVQHVVLQALFYLLDRAVDSFETQRNGLVFIYDMCGSNYANFELDLGKKVLNLLKGAFPARLKKVLIVGAPIWFRVPYSIISLLLKDKVRERIQILKTSEVTQHLPRECLPENLGGYVKIDLATWNFQFLPQVNGHPDPFDEIILFSLPPALDWDSVHVPGPHAMTIQELVDYVNARQKQGIYEEYEDIRRENPVGTFHCSMSPGNLEKNRYGDVPCLDQTRVKLTKRSGHTQTDYINASFMDGYKQKNAYIGTQGPLENTYRDFWLMVWEQKVLVIVMTTRFEEGGRRKCGQYWPLEKDSRIRFGFLTVTNLGVENMNHYKKTTLEIHNTEERQKRQVTHFQFLSWPDYGVPSSAASLIDFLRVVRNQQSLAVSNMGARSKGQCPEPPIVVHCSAGIGRTGTFCSLDICLAQLEELGTLNVFQTVSRMRTQRAFSIQTPEQYYFCYKAILEFAEKEGMVSSGQNLLAVESQ
  
Inhibitor
Name:
BDBM50031906
Synonyms:
CHEMBL3360905
Type:
Small organic molecule
Emp. Form.:
C33H31N3O6S
Mol. Mass.:
597.681
SMILES:
CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCc4ccc(cc4)C(O)=O)cc3)c(=O)n2C1c1ccc(cc1)N(C)C |c:5,t:8|
Structure:
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