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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM124220
Substrate
n/a
Meas. Tech.
Enzyme Assays
IC50
5±0.0 nM
Citation
 Patel, D; Jain, M; Shah, SR; Bahekar, R; Jadav, P; Darji, B; Siriki, Y; Bandyopadhyay, D; Joharapurkar, A; Kshirsagar, S; Patel, H; Shaikh, M; Sairam, KV; Patel, P Discovery of orally active, potent, and selective benzotriazole-based PTP1B inhibitors. ChemMedChem 6:1011-6 (2011) [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:
BDBM124220
Synonyms:
({2-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-[difluoro(phosphono)methyl]quinolin-2-yl}methyl)-3-oxo-3-phenylpropyl]-6-bromoquinolin-7-yl}difluoromethyl)phosphonic acid (10n)
Type:
Small organic molecule
Emp. Form.:
C36H25Br2F4N5O7P2
Mol. Mass.:
937.362
SMILES:
OP(O)(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Structure:
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