Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM226152
Substrate
p-Nitrophenyl phosphate (p-NPP)
Meas. Tech.
PTP1B Assay
pH
6±0
Temperature
310.15±0 K
IC50
5.797e+4± 8e+2 nM
Citation
 Le, DD; Nguyen, DH; Zhao, BT; Seong, SH; Choi, JS; Kim, SK; Kim, JA; Min, BS; Woo, MH PTP1B inhibitors from Selaginella tamariscina (Beauv.) Spring and their kinetic properties and molecular docking simulation Bioorg Chem 72:273-281 (2017)   
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:
BDBM226152
Synonyms:
Selaginellin T (1)
Type:
Small organic molecule
Emp. Form.:
C33H22O4
Mol. Mass.:
482.5254
SMILES:
[#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccc(-[#8])cc1 |c:27,31|
Structure:
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Substrate
Name:
BDBM24514
Synonyms:
4-nitrophenoxyphosphonic acid | 4-nitrophenyl phosphate | CHEMBL24231 | p-nitrophenyl phosphate
Type:
Small organic molecule
Emp. Form.:
C6H6NO6P
Mol. Mass.:
219.0887
SMILES:
OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
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