Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50333649
Substrate
n/a
Meas. Tech.
ChEMBL_1984650 (CHEMBL4618056)
IC50
1000±n/a nM
Citation
 Pedersen, HA; Ndi, C; Semple, SJ; Buirchell, B; Møller, BL; Staerk, D PTP1B-Inhibiting Branched-Chain Fatty Acid Dimers from  J Nat Prod 83:1598-1610 (2020) [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:
BDBM50333649
Synonyms:
(3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(4-(3-aminopropylamino)butylamino)propylamino)-7-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptan-3-yl hydrogen sulfate | CHEMBL508583 | trodusquemine
Type:
Small organic molecule
Emp. Form.:
C37H72N4O5S
Mol. Mass.:
685.056
SMILES:
CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O |r|
Structure:
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