Reaction Details Report a problem with these data
Target
Tryptophan 5-hydroxylase 1
Ligand
BDBM445698
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Activity Assay
IC50
411±282 nM
Citation
 Bader, M; Specker, E; Matthes, S; Schütz, A; Mallow, K; Grohmann, M; Nazaré, M Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same US Patent  US11028104 Publication Date 6/8/2021 
Target
Name:
Tryptophan 5-hydroxylase 1
Synonyms:
TPH | TPH1 | TPH1_HUMAN | TPRH | TRPH | Tryptophan 5-monooxygenase 1
Type:
PROTEIN
Mol. Mass.:
50990.64
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1361824
Residue:
444
Sequence:
MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI
  
Inhibitor
Name:
BDBM445698
Synonyms:
Ex. 34/KM-06-160/(I-34) | US10683309, Example 34 | US11028104, Example 34
Type:
Small organic molecule
Emp. Form.:
C23H20ClF2N7O2S
Mol. Mass.:
531.965
SMILES:
CCn1c2nc(Cc3cn4cc(Cl)sc4n3)n(Cc3ccc(cc3)N3CC(F)(F)C3)c2c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: