Reaction Details Report a problem with these data
Target
Tryptophan 5-hydroxylase 2
Ligand
BDBM445694
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Activity Assay
IC50
16.0±1 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 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:
BDBM445694
Synonyms:
Ex. 30/KM-06-150/(I-30) | US10683309, Example 30 | US11028104, Example 30
Type:
Small organic molecule
Emp. Form.:
C23H23N7O3S
Mol. Mass.:
477.539
SMILES:
CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: