Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 2
Ligand
BDBM50535627
Substrate
n/a
Meas. Tech.
ChEMBL_1931001 (CHEMBL4434252)
IC50
36±n/a nM
Citation
 Jin, J; Ye, X; Boateng, D; Dai, K; Ye, F; Du, P; Yu, H Identification and characterization of potent and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B). Bioorg Med Chem Lett 29:2358-2363 (2019) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 2
Synonyms:
PTN2_HUMAN | PTPN2 | PTPT | T-cell protein tyrosine phosphatase (TCPTP) | T-cell protein-tyrosine phosphatase | TC-PTP | TCPTP | Tyrosine-protein phosphatase non-receptor type 2 | Tyrosine-protein phosphatase non-receptor type 2 (TC-PTP)
Type:
Protein
Mol. Mass.:
48481.80
Organism:
Homo sapiens (Human)
Description:
P17706
Residue:
415
Sequence:
MPTTIEREFEELDTQRRWQPLYLEIRNESHDYPHRVAKFPENRNRNRYRDVSPYDHSRVKLQNAENDYINASLVDIEEAQRSYILTQGPLPNTCCHFWLMVWQQKTKAVVMLNRIVEKESVKCAQYWPTDDQEMLFKETGFSVKLLSEDVKSYYTVHLLQLENINSGETRTISHFHYTTWPDFGVPESPASFLNFLFKVRESGSLNPDHGPAVIHCSAGIGRSGTFSLVDTCLVLMEKGDDINIKQVLLNMRKYRMGLIQTPDQLRFSYMAIIEGAKCIKGDSSIQKRWKELSKEDLSPAFDHSPNKIMTEKYNGNRIGLEEEKLTGDRCTGLSSKMQDTMEENSESALRKRIREDRKATTAQKVQQMKQRLNENERKRKRWLYWQPILTKMGFMSVILVGAFVGWTLFFQQNAL
  
Inhibitor
Name:
BDBM50535627
Synonyms:
CHEMBL4542052
Type:
Small organic molecule
Emp. Form.:
C43H42F2N4O7P2
Mol. Mass.:
826.7605
SMILES:
COC(CC(C)C)c1ccc2ccc(-c3ccc(CC(Cc4ccc(cc4)C(F)(F)P(O)(O)=O)(c4ccccc4)n4nnc5ccccc45)cc3)c(c2n1)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: