Reaction Details  Report a problem with these data
Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50514752
Substrate
n/a
Meas. Tech.
ChEMBL_1858295 (CHEMBL4359024)
IC50
32300±n/a nM
Citation
 Serafini, M; Torre, E; Aprile, S; Grosso, ED; Gesł, A; Griglio, A; Colombo, G; Travelli, C; Paiella, S; Adamo, A; Orecchini, E; Coletti, A; Pallotta, MT; Ugel, S; Massarotti, A; Pirali, T; Fallarini, S Discovery of Highly Potent Benzimidazole Derivatives as Indoleamine 2,3-Dioxygenase-1 (IDO1) Inhibitors: From Structure-Based Virtual Screening to  J Med Chem 63:3047-3065 (2020) [PubMed]  Article
Target
Name:
Tryptophan 2,3-dioxygenase
Synonyms:
T23O_MOUSE | TO | TRPO | Tdo | Tdo2 | Tryptamin 2,3-dioxygenase | Tryptophan oxygenase | Tryptophan pyrrolase | Tryptophanase
Type:
PROTEIN
Mol. Mass.:
47757.90
Organism:
Mus musculus
Description:
ChEMBL_1452150
Residue:
406
Sequence:
MSGCPFAGNSVGYTLKNVSMEDNEEDRAQTGVNRASKGGLIYGNYLQLEKILNAQELQSEVKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVIARMHRVVVIFKLLVQQFSVLETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQSLRVPYNRKHYRDNFGGDYNELLLKSEQEQTLLQLVEAWLERTPGLEPNGFNFWGKFEKNILKGLEEEFLRIQAKTDSEEKEEQMAEFRKQKEVLLCLFDEKRHDYLLSKGERRLSYRALQGALMIYFYREEPRFQVPFQLLTSLMDIDTLMTKWRYNHVCMVHRMLGTKAGTGGSSGYHYLRSTVSDRYKVFVDLFNLSTYLVPRHWVPKMNPIIHKFLYTAEYSDSSYFSSDESD
  
Inhibitor
Name:
BDBM50514752
Synonyms:
CHEMBL4458549
Type:
Small organic molecule
Emp. Form.:
C23H18N4O
Mol. Mass.:
366.4152
SMILES:
O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N
Structure:
Search PDB for entries with ligand similarity: