Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 1
Ligand
BDBM50522755
Substrate
n/a
Meas. Tech.
ChEMBL_1984675 (CHEMBL4618081)
IC50
340±n/a nM
Citation
 Huo, C; Zheng, Z; Xu, Y; Ding, Y; Zheng, H; Mu, Y; Niu, Y; Gao, J; Lu, X Naphthacemycins from a  J Nat Prod 83:1394-1399 (2020) [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:
BDBM50522755
Synonyms:
CHEMBL4528755
Type:
Small organic molecule
Emp. Form.:
C28H19Cl5O7
Mol. Mass.:
644.711
SMILES:
COc1c(Cl)c(O)c(Cl)c(C)c1-c1cc(O)c(Cl)c2cc3c(C(=O)c4c(O)c(Cl)c(O)c(Cl)c4C3(C)C)c(O)c12 |(54.94,-6.7,;53.6,-7.47,;52.27,-6.71,;52.26,-5.17,;53.6,-4.39,;50.93,-4.4,;50.92,-2.86,;49.59,-5.18,;48.25,-4.42,;49.6,-6.72,;48.28,-7.5,;50.94,-7.47,;50.94,-9.88,;49.62,-10.65,;49.61,-12.2,;48.28,-12.97,;50.95,-12.97,;50.95,-14.51,;52.28,-12.19,;53.62,-12.96,;54.95,-12.18,;54.94,-10.63,;56.27,-9.85,;56.26,-8.31,;57.61,-10.61,;58.94,-9.83,;58.92,-8.29,;60.28,-10.58,;61.61,-9.8,;60.3,-12.14,;61.64,-12.89,;58.97,-12.92,;58.98,-14.46,;57.62,-12.16,;56.28,-12.94,;57.05,-14.27,;55.51,-14.27,;53.61,-9.87,;53.6,-8.34,;52.28,-10.65,)|
Structure:
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