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Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50171117
Substrate
n/a
Meas. Tech.
ChEMBL_321519 (CHEMBL880579)
IC50
28±n/a nM
Citation
 Holmes, CP; Li, X; Pan, Y; Xu, C; Bhandari, A; Moody, CM; Miguel, JA; Ferla, SW; De Francisco, MN; Frederick, BT; Zhou, S; Macher, N; Jang, L; Irvine, JD; Grove, JR Discovery and structure-activity relationships of novel sulfonamides as potent PTP1B inhibitors. Bioorg Med Chem Lett 15:4336-41 (2005) [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:
BDBM50171117
Synonyms:
2-(4-(N-(3-bromo-4-(difluoro(phosphono)methyl)benzyl)-N-(4-(N,N-dimethylsulfamoyl)benzyl)sulfamoyl)phenoxy)acetic acid | CHEMBL198940 | {4-[[3-Bromo-4-(difluoro-phosphono-methyl)-benzyl]-(4-dimethylsulfamoyl-benzyl)-sulfamoyl]-phenoxy}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C25H26BrF2N2O10PS2
Mol. Mass.:
727.486
SMILES:
CN(C)S(=O)(=O)c1ccc(CN(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1
Structure:
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