Reaction Details Report a problem with these data
Target
Tryptophan 5-hydroxylase 2
Ligand
BDBM445681
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Activity Assay
IC50
21.0±5 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  US10683309 Publication Date 6/16/2020 
Target
Name:
Tryptophan 5-hydroxylase 2
Synonyms:
NTPH | TPH2 | TPH2_HUMAN
Type:
PROTEIN
Mol. Mass.:
56055.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_487490
Residue:
490
Sequence:
MQPAMMMFSSKYWARRGFSLDSAVPEEHQLLGSSTLNKPNSGKNDDKGNKGSSKREAATESGKTAVVFSLKNEVGGLVKALRLFQEKRVNMVHIESRKSRRRSSEVEIFVDCECGKTEFNELIQLLKFQTTIVTLNPPENIWTEEEELEDVPWFPRKISELDKCSHRVLMYGSELDADHPGFKDNVYRQRRKYFVDVAMGYKYGQPIPRVEYTEEETKTWGVVFRELSKLYPTHACREYLKNFPLLTKYCGYREDNVPQLEDVSMFLKERSGFTVRPVAGYLSPRDFLAGLAYRVFHCTQYIRHGSDPLYTPEPDTCHELLGHVPLLADPKFAQFSQEIGLASLGASDEDVQKLATCYFFTIEFGLCKQEGQLRAYGAGLLSSIGELKHALSDKACVKAFDPKTTCLQECLITTFQEAYFVSESFEEAKEKMRDFAKSITRPFSVYFNPYTQSIEILKDTRSIENVVQDLRSDLNTVCDALNKMNQYLGI
  
Inhibitor
Name:
BDBM445681
Synonyms:
Ex. 17/KM-06-98/(I-17) | US10683309, Example 17 | US11028104, Example 17
Type:
Small organic molecule
Emp. Form.:
C25H24N8O2S
Mol. Mass.:
500.575
SMILES:
CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: