Reaction Details  Report a problem with these data
Target
Tyrosine-protein phosphatase non-receptor type 18
Ligand
BDBM50031908
Substrate
n/a
Meas. Tech.
ChEMBL_1437901 (CHEMBL3384865)
IC50
>100000±n/a nM
Citation
 Hou, X; Li, R; Li, K; Yu, X; Sun, JP; Fang, H Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening. J Med Chem 57:9309-22 (2014) [PubMed]  Article
Target
Name:
Tyrosine-protein phosphatase non-receptor type 18
Synonyms:
BDP1 | Brain-derived phosphatase | PTN18_HUMAN | PTPN18 | Tyrosine-protein phosphatase non-receptor type 18
Type:
PROTEIN
Mol. Mass.:
50490.92
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109521
Residue:
460
Sequence:
MSRSLDSARSFLERLEARGGREGAVLAGEFSDIQACSAAWKADGVCSTVAGSRPENVRKNRYKDVLPYDQTRVILSLLQEEGHSDYINGNFIRGVDGSLAYIATQGPLPHTLLDFWRLVWEFGVKVILMACREIENGRKRCERYWAQEQEPLQTGLFCITLIKEKWLNEDIMLRTLKVTFQKESRSVYQLQYMSWPDRGVPSSPDHMLAMVEEARRLQGSGPEPLCVHCSAGCGRTGVLCTVDYVRQLLLTQMIPPDFSLFDVVLKMRKQRPAAVQTEEQYRFLYHTVAQMFCSTLQNASPHYQNIKENCAPLYDDALFLRTPQALLAIPRPPGGVLRSISVPGSPGHAMADTYAVVQKRGAPAGAGSGTQTGTGTGTGARSAEEAPLYSKVTPRAQRPGAHAEDARGTLPGRVPADQSPAGSGAYEDVAGGAQTGGLGFNLRIGRPKGPRDPPAEWTRV
  
Inhibitor
Name:
BDBM50031908
Synonyms:
CHEMBL3360906
Type:
Small organic molecule
Emp. Form.:
C27H19N5O3S4
Mol. Mass.:
589.731
SMILES:
Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Structure:
Search PDB for entries with ligand similarity: