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Target
Tryptophan 2,3-dioxygenase
Ligand
BDBM50511716
Substrate
n/a
Meas. Tech.
ChEMBL_1845470 (CHEMBL4345897)
EC50
65±n/a nM
Citation
 Parr, BT; Pastor, R; Sellers, BD; Pei, Z; Jaipuri, FA; Castanedo, GM; Gazzard, L; Kumar, S; Li, X; Liu, W; Mendonca, R; Pavana, RK; Potturi, H; Shao, C; Velvadapu, V; Waldo, JP; Wu, G; Yuen, PW; Zhang, Z; Zhang, Y; Harris, SF; Oh, AJ; DiPasquale, A; Dement, K; La, H; Goon, L; Gustafson, A; VanderPorten, EC; Mautino, MR; Liu, Y Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. ACS Med Chem Lett 11:541-549 (2020) [PubMed]  Article
Target
Name:
Tryptophan 2,3-dioxygenase
Synonyms:
T23O_HUMAN | TDO | TDO2 | TO | TRPO | Tryptamin 2,3-dioxygenase | Tryptophan oxygenase | Tryptophan pyrrolase | Tryptophanase
Type:
PROTEIN
Mol. Mass.:
47874.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_825691
Residue:
406
Sequence:
MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQQFSILETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPYNRRHYRDNFKGEENELLLKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEFIRIQAKEESEEKEEQVAEFQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYREEPRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSKAGTGGSSGYHYLRSTVSDRYKVFVDLFNLSTYLIPRHWIPKMNPTIHKFLYTAEYCDSSYFSSDESD
  
Inhibitor
Name:
BDBM50511716
Synonyms:
CHEMBL4539108
Type:
Small organic molecule
Emp. Form.:
C21H20N2O3S
Mol. Mass.:
380.46
SMILES:
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cc(ccc2[C@H]1O)S(C)(=O)=O |r|
Structure:
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