Reaction Details  Report a problem with these data
Target
Tryptophan 5-hydroxylase 2
Ligand
BDBM357748
Substrate
n/a
Meas. Tech.
ChEMBL_2228294 (CHEMBL5141807)
IC50
100±n/a nM
Citation
 Specker, E; Matthes, S; Wesolowski, R; Schütz, A; Grohmann, M; Alenina, N; Pleimes, D; Mallow, K; Neuenschwander, M; Gogolin, A; Weise, M; Pfeifer, J; Ziebart, N; Heinemann, U; von Kries, JP; Nazaré, M; Bader, M Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J Med Chem 65:11126-11149 (2022) [PubMed]  Article
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:
BDBM357748
Synonyms:
KM-05-89/(I-2) | US10214530, Example 2
Type:
Small organic molecule
Emp. Form.:
C27H27N7O3
Mol. Mass.:
497.5484
SMILES:
O=c1[nH]c(=O)c2n(Cc3ccccc3)c(Cc3nc4cc(ccc4[nH]3)N3CCOCC3)nc2n1C1CC1
Structure:
Search PDB for entries with ligand similarity: