Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Ligand
BDBM13969
Substrate
BDBM13466
Meas. Tech.
PTP1B and TCPTP Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
9100±n/a nM
Citation
 Liu, G; Szczepankiewicz, BG; Pei, Z; Janowick, DA; Xin, Z; Hajduk, PJ; Abad-Zapatero, C; Liang, H; Hutchins, CW; Fesik, SW; Ballaron, SJ; Stashko, MA; Lubben, T; Mika, AK; Zinker, BA; Trevillyan, JM; Jirousek, MR Discovery and structure-activity relationship of oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. J Med Chem 46:2093-103 (2003) [PubMed]  Article 
Target
Name:
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
Synonyms:
PTN1_HUMAN | PTP-1B | PTP1B | PTPN1 | PTPase 1B | Protein-Tyrosine Phosphatase 1B (PTP1B) | Tyrosine-protein phosphatase, non-receptor type 1
Type:
Enzyme
Mol. Mass.:
34670.65
Organism:
Homo sapiens (Human)
Description:
The catalytic domain of PTP 1B (residues 1-298) was expressed and purified from E. coli.
Residue:
298
Sequence:
MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED
  
Inhibitor
Name:
BDBM13969
Synonyms:
2-({4-[(2S)-2-methanesulfonamido-2-(pentylcarbamoyl)ethyl]phenyl}amidoformic acid)benzoic acid | 2-{[4-(2-(S)-Methanesulfonylamino-2-pentylcarbamoylethyl)phenyl]oxalylamino}benzoic Acid | Oxalylarylaminobenzoic Acid Analog 21
Type:
Small organic molecule
Emp. Form.:
C24H29N3O8S
Mol. Mass.:
519.567
SMILES:
CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NS(C)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13466
Synonyms:
4-Nitrophenyl phosphate disodium salt hexahydrate | 4-nitrophenyl phosphate (pNPP) | disodium (4-nitrophenyl) phosphate | para-nitrophenyl phosphate (pNPP)
Type:
Small organic molecule
Emp. Form.:
C6H4NO6P
Mol. Mass.:
217.0739
SMILES:
[O-][N+](=O)c1ccc(O[P+]([O-])([O-])[O-])cc1
Structure:
Search PDB for entries with ligand similarity: