Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50142330
Substrate
n/a
Meas. Tech.
ChEMBL_162582 (CHEMBL768523)
IC50
88±n/a nM
Citation
Lau, CK; Bayly, CI; Gauthier, JY; Li, CS; Therien, M; Asante-Appiah, E; Cromlish, W; Boie, Y; Forghani, F; Desmarais, S; Wang, Q; Skorey, K; Waddleton, D; Payette, P; Ramachandran, C; Kennedy, BP; Scapin, G Structure based design of a series of potent and selective non peptidic PTP-1B inhibitors. Bioorg Med Chem Lett 14:1043-8 (2004) [PubMed] Article
More Info.:
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:
Human
Description:
Human recombinant GST-fusion PTP1B (1-435).
Residue:
435
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
Inhibitor
Name:
BDBM50142330
Synonyms:
CHEMBL8662 | [(4-{2-Benzothiazol-2-yl-2-benzotriazol-1-yl-3-[4-(difluoro-phosphono-methyl)-phenyl]-propyl}-phenyl)-difluoro-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C30H24F4N4O6P2S
Mol. Mass.:
706.541
SMILES:
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1