Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM13469
Substrate
n/a
Meas. Tech.
ChEMBL_1505866 (CHEMBL3595323)
Ki
1.7±n/a nM
Citation
 Du, YLing, HZhang, MShen, JLi, Q Discovery of novel, potent, selective and cellular active ADC type PTP1B inhibitors via fragment-docking-oriented de novel design. Bioorg Med Chem 23:4891-8 (2015) [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:
BDBM13469
Synonyms:
({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(phosphono)methyl]phenyl}acetamido)-3-phenylpropanamido]ethyl]phenyl}difluoromethyl)phosphonic acid | Difluoromethylphosphonic acid (DFMP) deriv. 1 | [[4-[[(1S)-1-[[(1S)-1-aminocarbonyl-2-[4-(difluoro-phosphono-methyl)phenyl]ethyl]carbamoyl]-2-phenyl-ethyl]carbamoylmethyl]phenyl]-difluoro-methyl]phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C28H29F4N3O9P2
Mol. Mass.:
689.4857
SMILES:
NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Structure:
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