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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50320931
Substrate
n/a
Meas. Tech.
ChEMBL_638039 (CHEMBL1166942)
IC50
5300±n/a nM
Citation
 Xu, JQ; Shen, Q; Li, J; Hu, LH Dammaranes from Gynostemma pentaphyllum and synthesis of their derivatives as inhibitors of protein tyrosine phosphatase 1B. Bioorg Med Chem 18:3934-9 (2010) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1
Synonyms:
PTN1_HUMAN | PTP1B | PTPN1 | Protein tyrosine phosphatase 1B (PTP1B) | Protein tyrosine phosphatase-1B (PTP1B) | Protein-tyrosine phosphatase 1B | Protein-tyrosine phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase non-receptor type 1 | Tyrosine-protein phosphatase non-receptor type 1 (PTP1B)
Type:
Protein phosphatase
Mol. Mass.:
49963.76
Organism:
Homo sapiens (Human)
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
  
Inhibitor
Name:
BDBM50320931
Synonyms:
(3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)-3-hydroxy-4,4,8,10-tetramethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-(2-methylprop-1-enyl)dihydrofuran-2(3H)-one | CHEMBL1163992
Type:
Small organic molecule
Emp. Form.:
C29H46O4
Mol. Mass.:
458.6731
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r|
Structure:
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