Reaction Details Report a problem with these data
Target
Kynureninase
Ligand
BDBM50040568
Substrate
n/a
Meas. Tech.
ChEMBL_91724 (CHEMBL702022)
IC50
900000±n/a nM
Citation
 Pellicciari, R; Natalini, B; Costantino, G; Mahmoud, MR; Mattoli, L; Sadeghpour, BM; Moroni, F; Chiarugi, A; Carpenedo, R Modulation of the kynurenine pathway in search for new neuroprotective agents. Synthesis and preliminary evaluation of (m-nitrobenzoyl)alanine, a potent inhibitor of kynurenine-3-hydroxylase. J Med Chem 37:647-55 (1994) [PubMed]  Article 
Target
Name:
Kynureninase
Synonyms:
KYNU_RAT | Kynu
Type:
PROTEIN
Mol. Mass.:
52470.50
Organism:
Rattus norvegicus
Description:
ChEMBL_91725
Residue:
464
Sequence:
MEPSPLELPVDAVRRIATELNCDPTDERVALRLDEEDKLKRFKDCFYIPKMRDLPSIDLSLVNEDDNAIYFLGNSLGLQPKMVKTYLEEELDKWAKIGAYGHEVGKRPWIIGDESIVSLMKDIVGAHEKEIALMNALTVNLHLLLLSFFKPTPKRHKILLEAKAFPSDHYAIESQIQLHGLDVEKSMRMIKPREGEETLRMEDILEVIEKEGDSIAVVLFSGLHFYTGQLFNIPAITQAGHAKGCFVGFDLAHAVGNVELHLHDWDVDFACWCSYKYLNSGAGGLAGAFIHEKHAHTIKPALVGWFGHELSTRFNMDNKLQLIPGVNGFRISNPPILLVCSLHASLEIFQQATMTALRRKSILLTGYLEYLLKHYHGGNDTENKRPVVNIITPSRAEERGCQLTLTFSISKKGVFKELEKRGVVCDKREPEGIRVAPVPLYNSFHDVYKFIRLLTAILDSTERN
  
Inhibitor
Name:
BDBM50040568
Synonyms:
CHEMBL157866 | para-nitrobenzoyl)alanine
Type:
Small organic molecule
Emp. Form.:
C10H10N2O5
Mol. Mass.:
238.1968
SMILES:
[NH3+]C(CC(=O)c1ccc(cc1)[N+]([O-])=O)C([O-])=O
Structure:
Search PDB for entries with ligand similarity: